SCHEMBL7720169

SCHEMBL7720169

Nc1c(CCCl)cccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.56
CASP7 P55210 1/20 0.56
CASP6 P55212 1/20 0.56
HMGB1 P09429 2/20 0.49
FOLH1 Q04609 2/20 0.44
MMP2 P08253 1/20 0.43
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
ADORA1 P30542 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
NAPRT Q6XQN6 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL27449651 0.86 G6PD (0.39) G6PDCASP7CASP6HMGB1ABCB11
SCHEMBL27965749 0.85 G6PD (0.55) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL6832900 0.82 G6PD (0.56) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL5135887 0.82 G6PD (0.56) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL7071110 0.81 FOLH1 (0.66) HMGB1FOLH1ALDH1A1TSHRALOX15
SCHEMBL30934865 0.81 G6PD (0.59) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL4444648 0.81 G6PD (0.59) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL5981124 0.81 G6PD (0.55) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL17910042 0.81 G6PD (0.55) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL3844490 0.79 G6PD (0.57) G6PDCASP7CASP6HMGB1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165493-A1 NITROGEN MUSTARD COMPOUNDS AND PRODRUGS THEREFOR CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2002-01-02 EP claimed
WO-2000058271-A1 NITROGEN MUSTARD COMPOUNDS AND PRODRUGS THEREFOR CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-10-05 WO claimed
EP-0408546-A1 IMPROVEMENTS RELATING TO DRUG DELIVERY SYSTEMS. CANCER RES CAMPAIGN TECH (GB) 1991-01-23 EP claimed
WO-1988007378-A1 IMPROVEMENTS RELATING TO DRUG DELIVERY SYSTEMS CANCER RESEARCH CAMPAIGN TECHNOLOGY LTD. (GB) 1988-10-06 WO claimed
EP-0937070-A1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1999-08-25 EP disclosed
WO-1998021202-A1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1998-05-22 WO disclosed
EP-0787126-A1 BIS-(2-HALOETHYL)AMINOPHENYL SUBSTITUTED DISTAMYCIN DERIVATIVES AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1997-08-06 EP disclosed
WO-1997003957-A1 BIS-(2-HALOETHYL)AMINOPHENYL SUBSTITUTED DISTAMYCIN DERIVATIVES AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.P.A (IT) 1997-02-06 WO disclosed