SCHEMBL10413626

SCHEMBL10413626

Cc1ccc(C)c(Cn2c(C)cc3ccccc32)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
TNF P01375 1/20 0.56
MAPT P10636 3/20 0.51
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
USP2 O75604 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
ESR1 P03372 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CASP1 P29466 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL10412116 0.85 NPC1 (0.55) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL6820986 0.82 HDAC1 (0.47) TSHRTNFMAPTMEN1KMT2A
SCHEMBL28230447 0.79 MEN1 (0.60) TSHRTNFMAPTMEN1KMT2A
SCHEMBL10413206 0.76 L3MBTL1 (0.54) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL6821068 0.76 HDAC1 (0.50) TSHRMAPTMEN1KMT2AUSP2
SCHEMBL6821030 0.75 HDAC1 (0.62) TNFMAPTMEN1KMT2AALDH1A1
SCHEMBL30049411 0.75 HDAC1 (0.62) TNFMAPTMEN1KMT2AALDH1A1
SCHEMBL29392085 0.72 MEN1 (0.58) TSHRMAPTMEN1KMT2AUSP2
SCHEMBL668767 0.72 MEN1 (0.58) TSHRMAPTMEN1KMT2AUSP2
SCHEMBL30582653 0.72 TSHR (1.00) TSHRTNFMAPTMEN1KMT2A

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