SCHEMBL7540147

SCHEMBL7540147

CCN(C(N)=O)c1nc2ccc([N+](=O)[O-])cc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTT P42858 1/20 0.53
DYRK1A Q13627 1/20 0.52
RIPK1 Q13546 1/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
PDK1 Q15118 1/20 0.49
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
STAT1 P42224 1/20 0.47
ACP1 P24666 1/20 0.47
RAB9A P51151 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL7539138 0.84 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2ALDH1A1HTTCA2
SCHEMBL7546425 0.82 RAB9A (0.43) KMT2ASMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL7535208 0.80 MAPK1 (0.50) KMT2ASMN1; SMN2CYP3A4HTTDYRK1A
SCHEMBL7534511 0.80 ALDH1A1 (0.51) KMT2ASMN1; SMN2ALDH1A1HTTDYRK1A
SCHEMBL7537748 0.79 PGK1 (0.43) KMT2ASMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL6068038 0.79 LMNA (0.49) KMT2ASMN1; SMN2MAPTRAB9ALMNA
SCHEMBL31219325 0.78 HTT (0.66) KMT2ASMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL22130278 0.78 HTT (0.66) KMT2ASMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL14979027 0.77 HTT (0.54) KMT2ASMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL7534938 0.77 LMNA (0.47) KMT2ASMN1; SMN2MAPTRAB9ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254123-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Abbott GmbH & Co. KG (DE) 2002-11-06 EP disclosed
WO-2001057008-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-08-09 WO disclosed