SCHEMBL9195261

SCHEMBL9195261

CCn1c(C)c(C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
HPGD P15428 3/20 0.56
KDM4E B2RXH2 2/20 0.56
POLB P06746 1/20 0.56
CNR2 P34972 13/20 0.50
CNR1 P21554 9/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
CYP2C19 P33261 2/20 0.46
NR1I2 O75469 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
GMNN O75496 1/20 0.45

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
SCHEMBL11243813 0.88 CNR2 (0.61) CNR2CNR1
SCHEMBL11260630 0.86 CNR2 (0.64) CNR2CNR1
SCHEMBL10659396 0.84 CNR2 (0.48) ALDH1A1HPGDCNR2CNR1MEN1
SCHEMBL11207810 0.83 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EPOLBCNR2
SCHEMBL9198796 0.82 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EPOLBCNR2
SCHEMBL11245593 0.82 EGFR (0.52) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL11167033 0.78 HPGD (0.55) ALDH1A1HPGDKDM4EPOLBCNR2
SCHEMBL11165547 0.78 HPGD (0.55) ALDH1A1HPGDKDM4EPOLBCNR2
SCHEMBL11244715 0.78 KDM4E (0.51) ALDH1A1HPGDKDM4EPOLBCNR2
SCHEMBL729021 0.77 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EPOLBCNR2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420808-B1 Pyran-containing phthalides CIBA GEIGY AG (CH) 1995-03-01 EP disclosed
EP-0356386-B1 Chromogenic phthalides CIBA GEIGY AG (CH) 1994-09-28 EP disclosed
US-5210232-A Pyran-containing phthalides CIBA-GEIGY CORPORATION (US) 1993-05-11 US disclosed
US-5143892-A Pressure and heat sensitive recording materials CIBA-GEIGY CORPORATION (US) 1992-09-01 US disclosed
US-5097044-A PYRAN-CONTAINING PHTHALIDES CIBA-GEIGY CORPORATION (US) 1992-03-17 US disclosed
US-5039822-A For heat or temperature sensitive recording, rapid development, colorfastness CIBA-GEIGY CORPORATION (US) 1991-08-13 US disclosed
EP-0420808-A2 Pyran-containing phthalides CIBA-GEIGY AG (CH) 1991-04-03 EP disclosed
US-4431819-A PRESSURE AND HEAT SENSITIVE ELEMENTS; CARBONLESS COPYING; HECTOGRAPHY; XERORAPHY STERLING DRUG INC. (US) 1984-02-14 US disclosed
US-4381266-A (N-Substituted benzoyl)halobenzoic acid anhydrides CIBA-GEIGY CORPORATION (US) 1983-04-26 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-4277400-A 2(Indol-3'-oyl) 3,4,5,6-tetrahalo benzoic acid anhydrides CIBA-GEIGY CORPORATION (US) 1981-07-07 US disclosed
US-4251092-A COATED WITH A 3-HETERO-3-(DIPHENYLAMINO)PHTHALIDES COLOR FORMER STERLING DRUG INC. (US) 1981-02-17 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-4182714-A CARBONLESS COLORING DUPLICATING STERLING DRUG INC. (US) 1980-01-08 US disclosed
US-4016174-A USED IN PRESSURE SENSITIVE RECORD MATERIALS AND MANIFOLD MARKING SYSTEMS NCR CORPORATION (US) 1977-04-05 US disclosed