SCHEMBL10413622

SCHEMBL10413622

Cc1cc2ccc([N+](=O)[O-])cc2n1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
RXFP1 Q9HBX9 2/20 0.48
ALDH1A1 P00352 4/20 0.47
TSHR P16473 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP19A1 P11511 1/20 0.47
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
CDC7 O00311 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
ACHE P22303 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CASP3 P42574 2/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31036289 0.86 CYP19A1 (0.61) MAPTMEN1KMT2ARXFP1ALDH1A1
SCHEMBL3481105 0.86 CYP19A1 (0.61) MAPTMEN1KMT2ARXFP1ALDH1A1
SCHEMBL1629608 0.79 CYP1A2 (0.59) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL8985891 0.78 MCL1 (0.55) MAPTALDH1A1TDP1CYP19A1HPGD
SCHEMBL2246276 0.76 CYP19A1 (0.79) MAPTMEN1KMT2ARXFP1ALDH1A1
SCHEMBL27344753 0.76 MAPT (0.63) MAPTMEN1KMT2ARXFP1ALDH1A1
SCHEMBL5443364 0.75 CYP19A1 (0.56) MAPTALDH1A1TSHRTDP1CYP19A1
SCHEMBL30349578 0.75 CYP19A1 (0.56) MAPTALDH1A1TSHRTDP1CYP19A1
SCHEMBL3352228 0.74 HTR7 (0.44) MAPTALDH1A1RAB9APKMACHE
SCHEMBL7878190 0.74 NOD2 (0.57) MAPTMEN1KMT2AALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4895958-A CHROMOGENS, IMAGES, PRESSURE SENSITIVE AND HEAT RESPONSIVE CARBONLESS DUPLICATING HILTON DAVIS CO. (US) 1990-01-23 US disclosed
US-4795736-A AMINOPHENYL PHENYLSULFONYL PROPENE/1-/ HILTON DAVIS CO. (US) 1989-01-03 US disclosed
US-4732991-A Substituted phthalides HILTON DAVIS CHEMICAL CO. (US) 1988-03-22 US disclosed
US-4697018-A CARBONLESS DUPLICATION OR THERMAL MARKING DYES THE HILTON-DAVIS CHEMICAL CO. (US) 1987-09-29 US disclosed
US-4595768-A 3-(substituted phenyl)phthalides THE HILTON-DAVIS CHEMICAL CO. (US) 1986-06-17 US disclosed
US-4558137-A CHROMAGENS, PRESSURE AND HEAT SENSITIVE CARBONLESS DUPLICATING SYSTEMS THE HILTON-DAVIS CHEMICAL CO. (US) 1985-12-10 US disclosed
US-4494989-A PRESSURE SENSITIVE CARBONLESS DUPLICATING OR THERMAL MARKING SYSTEMS THE HILTON-DAVIS CHEMICAL CO. (US) 1985-01-22 US disclosed
US-4477676-A 4-(3-Indolyl)-2,3-dichloro-4-oxo-2-butenoic acids THE HILTON-DAVIS CHEMICAL CO. (US) 1984-10-16 US disclosed
US-4451657-A 3,5- And 5,5-bis(3-indolyl)-2-(5H)furanones THE HILTON-DAVIS CHEMICAL CO. (US) 1984-05-29 US disclosed
US-4403791-A Carbonless duplicating and marking systems STERLING DRUG INC. (US) 1983-09-13 US disclosed
US-4377698-A 2,4 Bis(2-indolyl-3)-4-oxobutanoic acids STERLING DRUG INC. (US) 1983-03-22 US disclosed
US-4351768-A CARBONLESS, DUPLICATION, INDOLE DYES STERLING DRUG INC. (US) 1982-09-28 US disclosed
US-4322352-A Indolyl phthalide compounds STERLING DRUG INC. (US) 1982-03-30 US disclosed
US-4307018-A CHROMOGENS FOR COPYING SYSTEMS STERLING DRUG INC. (US) 1981-12-22 US disclosed
US-4275121-A Carbonless duplicating and marking systems utilizing indolyl-substituted furanone color formers STERLING DRUG INC. (US) 1981-06-23 US disclosed
US-4257954-A INDOLYL-PHENYLSULFONYL-PHENYL METHANE STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4251446-A COLOR PRECURSORS STERLING DRUG INC. (US) 1981-02-17 US disclosed
US-4189171-A PRESSURE SENSITIVE, THERMAL AND HECTOGRAPHIC SYSTEMS STERLING DRUG INC. (US) 1980-02-19 US disclosed
US-4075224-A 3,5-Bis (indolyl)-5-(indolyl)-2(5H)-furanones STERLING DRUG INC. (US) 1978-02-21 US disclosed