SCHEMBL31662290

SCHEMBL31662290

COC(=O)c1cc(Oc2ccc(Br)cc2)c2c(cnn2C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
NPBWR1 P48145 1/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SCN9A Q15858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDE1C Q14123 2/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PTPN11 Q06124 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL31662519 0.89 CA12 (0.41) USP2NPBWR1ALDH1A1SCN9ASMN1; SMN2
SCHEMBL31662315 0.86 MAPT (0.41) USP2NPBWR1ALDH1A1SCN9ASMN1; SMN2
SCHEMBL31662527 0.84 MAPT (0.41) USP2NPBWR1ALDH1A1SCN9ASMN1; SMN2
SCHEMBL31662347 0.82 LMNA (0.38) USP2ALDH1A1SCN9ALMNAKMT2A
SCHEMBL31662404 0.82 SCN9A (0.40) USP2NPBWR1ALDH1A1SCN9ALMNA
SCHEMBL31662262 0.82 LMNA (0.46) USP2SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL31662488 0.80 LMNA (0.37) USP2NPBWR1SCN9ASMN1; SMN2LMNA
SCHEMBL20604894 0.79 ALDH1A1 (0.42) USP2ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL31662294 0.77 HAO1 (0.39) NPBWR1SCN9AKMT2AKDM4E
SCHEMBL31662084 0.76 MAOB (0.36) USP2HTR2AHTR2CLMNAKDM4E

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed