SCHEMBL8400723

SCHEMBL8400723

CCCSc1ccc(N(Cc2nc3c(F)c(F)ccc3s2)C(=O)CCC(=O)OCC)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
PPOX P50336 4/20 0.32
AKR1B1 P15121 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL8395482 0.90 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1MEN1KMT2AALDH1A1
SCHEMBL8399248 0.90 AKR1B1 (0.36) AKR1B1LMNA
SCHEMBL8395772 0.88 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1MEN1KMT2AALDH1A1
SCHEMBL8397851 0.88 SMN1; SMN2 (0.44) SMN1; SMN2AKR1B1MEN1KMT2AALDH1A1
SCHEMBL8396366 0.88 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1MEN1KMT2ALMNA
SCHEMBL8398980 0.87 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1MEN1KMT2APOLB
SCHEMBL8396066 0.87 SMN1; SMN2 (0.36) SMN1; SMN2AKR1B1
SCHEMBL8398989 0.87 SMN1; SMN2 (0.38) SMN1; SMN2AKR1B1MEN1KMT2AALDH1A1
SCHEMBL8399027 0.87 SMN1; SMN2 (0.40) SMN1; SMN2AKR1B1MEN1KMT2AALDH1A1
SCHEMBL8399202 0.86 SMN1; SMN2 (0.52) SMN1; SMN2AKR1B1MEN1KMT2AALDH1A1

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