SCHEMBL8401569

SCHEMBL8401569

CCCCc1ccc(N(CC#N)C(=O)CCC(=O)OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MLYCD O95822 2/20 0.38
PLK1 P53350 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTB4R2 Q9NPC1 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.36
GALR3 O60755 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8397881 0.91 SMN1; SMN2 (0.49) HPGDALDH1A1SMN1; SMN2LTB4R2HSD17B10
SCHEMBL8399138 0.88 SMN1; SMN2 (0.41) HPGDALDH1A1SMN1; SMN2LTB4R2HSD17B10
SCHEMBL8396482 0.86 HTT (0.42) ALDH1A1SMN1; SMN2LTB4R2HSD17B10KDM4E
SCHEMBL8399279 0.83 AR (0.39) HPGDALDH1A1SMN1; SMN2HSD17B10KDM4E
SCHEMBL8400320 0.82 SMN1; SMN2 (0.46) HPGDALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL8399081 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL8399249 0.81 HPGD (0.47) HPGDALDH1A1SMN1; SMN2HSD17B10KDM4E
SCHEMBL8395962 0.81 MDM2 (0.43) ALDH1A1SMN1; SMN2HSD17B10KDM4EKMT2A
SCHEMBL8399145 0.81 ATM (0.41) HPGDALDH1A1MLYCDSMN1; SMN2LTB4R2
SCHEMBL8398027 0.81 HTT (0.42) ALDH1A1PLK1SMN1; SMN2HSD17B10RAB9A

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