SCHEMBL30255015

SCHEMBL30255015

Nc1ncc(Br)c(N2CCC(NC(=O)O)CC2)c1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ BTK Q06187 2/20 0.35
▸ PAK1 Q13153 3/20 0.34
▸ OPRK1 P41145 1/20 0.33
▸ CA12 O43570 3/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA4 P22748 3/20 0.33
▸ CA7 P43166 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ CKS1B P61024 2/20 0.33
▸ SKP1 P63208 2/20 0.33
▸ SKP2 Q13309 2/20 0.33
▸ BMPR1B O00238 1/20 0.33
▸ BMPR1A P36894 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ ACVRL1 P37023 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ PIK3CA P42336 1/20 0.32

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
SCHEMBL30255236 0.87 CKS1B (0.35) PAK1OPRK1CKS1BSKP1SKP2
SCHEMBL20500375 0.84 CKS1B (0.46) BTKOPRK1CKS1BSKP1SKP2
SCHEMBL30254917 0.83 OPRK1 (0.36) KDM4EOPRK1CKS1BSKP1SKP2
SCHEMBL20500383 0.82 TSHR (0.47) —
SCHEMBL28347956 0.79 KDM4E (0.33) KDM4EHSD17B10CKS1BSKP1SKP2
SCHEMBL16694846 0.78 CYP3A4 (0.39) PAK1OPRK1CKS1BSKP1SKP2
SCHEMBL20500351 0.74 CKS1B (0.47) BTKOPRK1CKS1BSKP1SKP2
SCHEMBL21248810 0.73 SMPD3 (0.35) BTKOPRK1CA12CA1CA2
SCHEMBL21248811 0.73 SMPD3 (0.35) BTKOPRK1CA12CA1CA2
SCHEMBL21810274 0.72 CHEK1 (0.32) —

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-110650951-B Somatostatin modulators and uses thereof 克林提克斯医药股份有限公司 2023-02-24 — — CN disclosed
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