SCHEMBL8400726

SCHEMBL8400726

CSc1ccc(N(Cc2nc3c(F)c(F)ccc3s2)C(=O)CCC(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.38
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
LMNA P02545 2/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8396280 0.89 AKR1B1 (0.40) AKR1B1MAPTSMN1; SMN2HDAC6
SCHEMBL8395254 0.89 AKR1B1 (0.41) AKR1B1MAPTHDAC6LMNA
SCHEMBL8399248 0.89 AKR1B1 (0.36) AKR1B1LMNA
SCHEMBL8400711 0.89 AKR1B1 (0.38) AKR1B1MAPTSMN1; SMN2LMNATP53
SCHEMBL8395482 0.89 SMN1; SMN2 (0.39) AKR1B1MAPTSMN1; SMN2
SCHEMBL8397960 0.88 AKR1B1 (0.41) AKR1B1MAPTHDAC6
SCHEMBL8400340 0.88 AKR1B1 (0.46) AKR1B1MAPTSMN1; SMN2LMNATP53
SCHEMBL8399205 0.87 AKR1B1 (0.40) AKR1B1HDAC6LMNATP53POLB
SCHEMBL8399186 0.86 USP2 (0.40) AKR1B1MAPTLMNATP53POLB
SCHEMBL8396397 0.86 AKR1B1 (0.38) AKR1B1MAPTSMN1; SMN2LMNATP53

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