SCHEMBL8398941

SCHEMBL8398941

CCc1cccc(N(Cc2nc3c(F)c(F)ccc3s2)C(=O)CCC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.39
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTB4R2 Q9NPC1 3/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
GAA P10253 1/20 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
SCHEMBL8397061 0.90 SMN1; SMN2 (0.40) AKR1B1MAPTSMN1; SMN2LTB4R2LMNA
SCHEMBL8400418 0.89 RAB9A (0.40) AKR1B1LTB4R2
SCHEMBL8399142 0.89 AKR1B1 (0.41) AKR1B1LTB4R2LMNAPKM
SCHEMBL8518906 0.88 AKR1B1 (0.40) AKR1B1LTB4R2
SCHEMBL8399605 0.87 LTB4R2 (0.39) AKR1B1MAPTLTB4R2LMNATP53
SCHEMBL8400340 0.87 AKR1B1 (0.46) AKR1B1MAPTSMN1; SMN2LMNATP53
SCHEMBL8396322 0.87 AKR1A1 (0.44) AKR1B1
SCHEMBL8395521 0.87 AKR1B1 (0.40) AKR1B1LMNAPKMTP53POLB
SCHEMBL8396327 0.86 AKR1B1 (0.37) AKR1B1MAPTSMN1; SMN2LTB4R2LMNA
SCHEMBL8395488 0.86 MTNR1A (0.39) AKR1B1MAPTLTB4R2LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647636-B1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF SENJU PHARMA CO (JP) 1999-06-09 EP disclosed
US-5532257-A ENZYME INHIBITOR SENJU PHARMACEUTICAL CO., LTD (JP) 1996-07-02 US disclosed
EP-0647636-A1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 1995-04-12 EP disclosed