SCHEMBL9753089

SCHEMBL9753089

CN(CCNS(C)(=O)=O)c1nc2ccccc2n1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
USP2 O75604 1/20 0.49
HTT P42858 2/20 0.48
TSHR P16473 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HDAC1 Q13547 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 2/20 0.38
LMNA P02545 1/20 0.38
ALPL P05186 1/20 0.38
ALPG P10696 1/20 0.38
PKM P14618 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL9697536 0.82 SMN1; SMN2 (0.44) SMN1; SMN2USP2HTTTSHRHDAC6
SCHEMBL5562480 0.76 SMN1; SMN2 (0.46) SMN1; SMN2USP2HTTHDAC6RAB9A
SCHEMBL6816386 0.76 MAPT (0.49) SMN1; SMN2USP2HTTHDAC6RAB9A
SCHEMBL3360368 0.76 TSHR (0.48) SMN1; SMN2USP2HTTTSHRALDH1A1
SCHEMBL9971209 0.76 MEN1 (0.39) SMN1; SMN2USP2HTTTSHRRAB9A
Hydrochloric Acid SCHEMBL9697076 0.76 TSHR (0.47) SMN1; SMN2USP2HTTTSHRALDH1A1
SCHEMBL9732994 0.76 NPC1 (0.46) SMN1; SMN2USP2HTTTSHRRAB9A
Hydrochloric Acid SCHEMBL9733674 0.75 NPC1 (0.46) SMN1; SMN2USP2HTTTSHRRAB9A
SCHEMBL9696030 0.75 TNKS (0.42) SMN1; SMN2USP2HDAC6RAB9AALDH1A1
SCHEMBL9696959 0.75 TSHR (0.47) SMN1; SMN2USP2HTTTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991018904-A1 SUBSTITUTED ARYLSULFONAMIDES AND BENZAMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-12-12 WO disclosed