SCHEMBL5497048

SCHEMBL5497048

Cc1nc2c(F)c(F)c(F)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.61
ILK Q13418 1/20 0.50
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PKM P14618 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.37
POLB P06746 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL28293356 0.79 ALDH1A1 (0.66) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL24251956 0.79 ALDH1A1 (0.40) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL25675334 0.78 GAA (0.47) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL3071959 0.78 ALDH1A1 (0.63) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL335937 0.76 ALDH1A1 (0.61) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL12109875 0.76 HSD17B10 (0.43) ALDH1A1LMNARAB9ANPC1MAPT
SCHEMBL21753703 0.76 ALDH1A1 (1.00) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL2615996 0.76 RAB9A (0.56) ALDH1A1LMNARAB9ANPC1MAPT
SCHEMBL3829665 0.76 ALDH1A1 (0.61) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL7268236 0.76 ALDH1A1 (0.56) ALDH1A1LMNAILKRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539175-A4 SUBSTITUTED INDOLEALKANOIC ACIDS DERIVATIVE AND FORMULATIONS CONTAINING SAME FOR USE IN TREATMENT OF DIABETIC COMPLICATIONS INST FOR PHARM DISCOVERY INC (US) 2007-09-26 EP disclosed
EP-1539175-A2 SUBSTITUTED INDOLEALKANOIC ACIDS DERIVATIVE AND FORMULATIONS CONTAINING SAME FOR USE IN TREATMENT OF DIABETIC COMPLICATIONS The Institutes for Pharmaceutical Discovery, LLC (US) 2005-06-15 EP disclosed
EP-1444228-A2 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2004-08-11 EP disclosed
WO-2004010944-A2 SUBSTITUTED INDOLEALKANOIC ACIDS DERIVATIVE AND FORMULATIONS CONTAINING SAME FOR USE IN TREATMENT OF DIABETIC COMPLICATIONS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-02-05 WO disclosed
WO-2003044015-A2 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2003-05-30 WO disclosed
EP-1198451-A2 SUBSTITUTED PHENOXYACETIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2002-04-24 EP disclosed
EP-1135124-A2 ANTIHYPERTRIGLYCERIDEMIC, ANTIHYPERGLYCEMIC, ANTI-ANGIOGENIC AND WOUND HEALING SUBSTITUDED INDOLEALKANOIC ACIDS The Institutes for Pharmaceutical Discovery, Inc. (US) 2001-09-26 EP disclosed
WO-2001064205-A2 COMPOSITIONS CONTAINING A SUBSTITUTED INDOLEALKANOIC ACID AND AN ANGIOTENSIN CONVERTING ENZYME INHIBITOR THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2001-09-07 WO disclosed
EP-1066283-A2 SUBSTITUTED INDOLEALKANOIC ACIDS The Institutes for Pharmaceutical Discovery, Inc. (US) 2001-01-10 EP disclosed
WO-2001000566-A2 SUBSTITUTED PHENOXYACETIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2001-01-04 WO disclosed
WO-2000032180-A2 ANTIHYPERTRIGLYCERIDEMIC, ANTIHYPERGLYCEMIC, ANTI-ANGIOGENIC AND WOUND HEALING SUBSTITUTED INDOLEALKANOIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2000-06-08 WO disclosed
WO-1999050268-A2 SUBSTITUTED INDOLEALKANOIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 1999-10-07 WO disclosed