SCHEMBL8399251

SCHEMBL8399251

COc1ccc(N(Cc2nc3ccc(F)c(F)c3s2)C(=O)CCC(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 2/20 0.37
RNF4 P78317 1/20 0.37
HDAC1 Q13547 2/20 0.37
RORC P51449 1/20 0.36
LMNA P02545 5/20 0.35
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MAPT P10636 1/20 0.34
POLB P06746 2/20 0.34
MMP13 P45452 1/20 0.34
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 1/20 0.34

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
SCHEMBL8399271 0.90 SMN1; SMN2 (0.39) TSHRUSP2TP53HDAC1LMNA
SCHEMBL8399115 0.90 MTNR1A (0.40) LMNALTB4R2NPC1RAB9APTGDR2
SCHEMBL8399708 0.89 AKR1B1 (0.35) TP53LTB4R2MAPTAKR1B1
SCHEMBL8400228 0.89 LTB4R2 (0.35) TSHRTP53LMNAALDH1A1LTB4R2
SCHEMBL8399348 0.89 LTB4R2 (0.39) TP53LMNAALDH1A1LTB4R2MAPT
SCHEMBL8399344 0.88 HDAC6 (0.37) TP53LTB4R2AKR1A1AKR1B1
SCHEMBL8395274 0.88 AKR1B1 (0.37) TSHRTP53ALDH1A1NPC1RAB9A
SCHEMBL8399247 0.87 AKR1B1 (0.32) PTGDR2AKR1A1AKR1B1
SCHEMBL8982219 0.86 STK17B (0.32) AKR1B1
SCHEMBL8400120 0.86 LTB4R2 (0.37) TP53LTB4R2AKR1B1

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