SCHEMBL8400240

SCHEMBL8400240

COC(=O)CCC(=O)N(CC#N)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 5/20 0.40
POLQ O75417 1/20 0.39
LMNA P02545 5/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
FDFT1 P37268 1/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
APEX1 P27695 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
PTGER2 P43116 1/20 0.35
EPHX2 P34913 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
SCHEMBL8399243 0.89 SMN1; SMN2 (0.51) POLQLMNAMAPTTP53POLB
SCHEMBL8397986 0.85 SMN1; SMN2 (0.42) MLYCDPOLQLMNAMAPTTP53
SCHEMBL8400320 0.85 SMN1; SMN2 (0.46) LMNAMAPTALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8399081 0.84 ALDH1A1 (0.47) LMNAMAPTALDH1A1TP53POLB
SCHEMBL8395962 0.84 MDM2 (0.43) LMNAMAPTALDH1A1SMN1; SMN2FDFT1
SCHEMBL8399145 0.84 ATM (0.41) MLYCDLMNAMAPTALDH1A1POLB
SCHEMBL8399249 0.84 HPGD (0.47) LMNAMAPTALDH1A1TP53POLB
SCHEMBL8400558 0.84 SMN1; SMN2 (0.54) MLYCDPOLQLMNAMAPTALDH1A1
SCHEMBL8395457 0.82 MAPT (0.39) MLYCDLMNAMAPTALDH1A1TP53
SCHEMBL8399007 0.82 SMN1; SMN2 (0.37) MLYCDPOLQLMNAMAPTALDH1A1

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