SCHEMBL31025971

SCHEMBL31025971

CCOC(=O)c1cc2ccc(N3CCN(C4CC4)CC3)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.43
GAA P10253 2/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CHRNA7 P36544 1/20 0.41
MAPT P10636 3/20 0.40
PTPN2 P17706 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL30492857 1.00 LGMN (0.43) LGMNGAAALOX12SMN1; SMN2MEN1
SCHEMBL25298855 0.87 CHRNA7 (0.43) LGMNGAASMN1; SMN2MEN1KMT2A
SCHEMBL25810272 0.87 LGMN (0.47) LGMNGAASMN1; SMN2MEN1KMT2A
SCHEMBL30492838 0.87 LGMN (0.47) LGMNGAASMN1; SMN2MEN1KMT2A
SCHEMBL31025994 0.87 CHRNA7 (0.43) LGMNGAASMN1; SMN2MEN1KMT2A
SCHEMBL25809773 0.86 HRH4 (0.43) LGMNGAAMAPTPTPN2ALDH1A1
SCHEMBL30492912 0.85 KDM4E (0.47) GAASMN1; SMN2MAPTPTPN2ALDH1A1
SCHEMBL31026002 0.85 KDM4E (0.47) GAASMN1; SMN2MAPTPTPN2ALDH1A1
SCHEMBL30492874 0.85 CHRNA7 (0.43) LGMNGAASMN1; SMN2MEN1KMT2A
SCHEMBL25810428 0.85 CHRNA7 (0.43) LGMNGAASMN1; SMN2MEN1KMT2A

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
CN-118488951-A Fused bicyclic heteroaryl amide compounds as inhibitors of protein aggregation 上海京新生物医药有限公司 2024-08-13 CN disclosed