SCHEMBL31662390

SCHEMBL31662390

Cn1ncc2cc(C(=O)NN)cc(Oc3ccc4c(c3)CCO4)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.41
CREBBP Q92793 1/20 0.39
NPBWR1 P48145 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TAS1R3 Q7RTX0 3/20 0.37
TAS1R1 Q7RTX1 3/20 0.37
SCN9A Q15858 2/20 0.36
PIK3CA P42336 1/20 0.36
RYR2 Q92736 1/20 0.35
RAB9A P51151 1/20 0.35
PRKCI P41743 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
PIM1 P11309 1/20 0.35
FFAR1 O14842 1/20 0.34
NTRK1 P04629 1/20 0.34
SLC8A1 P32418 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
SCHEMBL31662593 0.89 PPARG (0.40) PPARGCREBBPNPBWR1CA12CA1
SCHEMBL31662235 0.75 CD38 (0.39) SCN9A
SCHEMBL31662158 0.74 NPBWR1 (0.34) PPARGCREBBPNPBWR1RAB9A
SCHEMBL31662580 0.70 PARP10 (0.46) SCN9A
SCHEMBL1395940 0.68 TAS1R3 (0.63) TAS1R3TAS1R1RAB9APRKCI
SCHEMBL31662144 0.68 PARP15 (0.51) SCN9A
SCHEMBL31662377 0.68 SCN9A (0.43) SCN9A
SCHEMBL31662519 0.67 CA12 (0.41) NPBWR1CA12CA1CA2CA9
SCHEMBL31662195 0.67 KMT2A (0.43)
SCHEMBL31662294 0.67 HAO1 (0.39) NPBWR1CA12CA1CA2CA9

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