SCHEMBL28106923

SCHEMBL28106923

CN1CCN(c2ccc(NC(=O)O)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.70
NPC1 O15118 12/20 0.70
GAA P10253 2/20 0.65
NPSR1 Q6W5P4 1/20 0.65
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.61
TSHR P16473 1/20 0.59
MAPT P10636 2/20 0.56
GLA P06280 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL13912 0.86 KMT2A (0.75) RAB9ANPC1GAANPSR1MEN1
SCHEMBL1430921 0.85 RAB9A (0.64) RAB9ANPC1GAANPSR1MEN1
SCHEMBL19988167 0.84 CA12 (0.65) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL1852166 0.84 MAPT (0.66) RAB9ANPC1GAANPSR1MEN1
SCHEMBL14365697 0.83 RAB9A (0.62) RAB9ANPC1GAANPSR1MEN1
SCHEMBL4972639 0.82 CYP1A2 (0.72) RAB9ANPC1GAANPSR1MEN1
SCHEMBL4743849 0.82 MEN1 (0.72) RAB9ANPC1GAANPSR1MEN1
SCHEMBL5740173 0.82 MAPT (0.77) RAB9ANPC1GAANPSR1MEN1
SCHEMBL7454467 0.82 KMT2A (0.72) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL12313402 0.82 POLB (0.62) RAB9ANPC1GAAMEN1KMT2A

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
CN-114341141-A Camptothecin derivatives having a disulfide moiety and a piperazine moiety 太阳医药高级研究有限公司 2022-04-12 CN disclosed
CN-106103445-B The therapeutical uses of pyrazolo [1,5-A] pyrimidine -5,7- diamine compound and they as CDK inhibitor 癌症研究技术有限公司 2019-08-09 CN disclosed
CN-106103445-A Pyrazolo [1,5 A] pyrimidine 5,7 diamine compound and their therapeutic use as CDK inhibitor 癌症研究技术有限公司 2016-11-09 CN disclosed