SCHEMBL31436624

SCHEMBL31436624

Cc1nc(Cl)cc(NC2CC2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HCAR3 P49019 2/20 0.38
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CISD1 Q9NZ45 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
MELK Q14680 1/20 0.36

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
SCHEMBL30632136 0.81 ALDH1A1 (0.47) ALDH1A1MAPK1SMN1; SMN2RAB9AMEN1
SCHEMBL28529103 0.74 POLB (0.42) CISD1CA12CA1CA2CA3
SCHEMBL30544164 0.74 POLB (0.42) CISD1CA12CA1CA2CA3
SCHEMBL29977074 0.73 ALDH1A1 (0.53) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL2132960 0.73 ALDH1A1 (0.63) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL474121 0.73 ALDH1A1 (0.53) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL26906314 0.73 POLB (0.52) ALDH1A1RAB9AMEN1KMT2APOLB
SCHEMBL29826993 0.73 POLB (0.52) ALDH1A1RAB9AMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL3758009 0.72 ALDH1A1 (0.61) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL30914335 0.71 EML4 (0.34) ALDH1A1MEN1KMT2ACISD1CA12

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-119585250-A KIT inhibitors 蓝图药品公司 2025-03-07 CN disclosed