SCHEMBL31430561

SCHEMBL31430561

COC(=O)C1(c2ccc3oc(N)nc3c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CA P42336 11/20 0.39
MTOR P42345 3/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
LCK P06239 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
SCHEMBL31430562 0.79 HCRTR1 (0.45) MAPTRAB9A
SCHEMBL1464997 0.76 MEN1 (0.43) LMNARAB9ASMN1; SMN2
SCHEMBL14710320 0.74 ESR2 (0.42) MAPTLMNATP53RAB9ASMN1; SMN2
SCHEMBL22629643 0.73 AGPAT2 (0.46) MAPTLMNACYP1A2THRBALOX15
SCHEMBL1465475 0.71 POLB (0.42) LMNASMN1; SMN2
SCHEMBL1464752 0.71 ALDH1A1 (0.45) MAPTLMNATHRBALOX15MAPK1
SCHEMBL1464590 0.71 LMNA (0.39) MAPTLMNAALOX15
SCHEMBL1465510 0.70 MAPK14 (0.40) MAPTLMNA
SCHEMBL1465850 0.70 NOS1 (0.47) LMNACYP1A2SMN1; SMN2
SCHEMBL12827123 0.70 LMNA (0.38) MAPTLMNAALOX15RAB9ASMN1; SMN2

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-2025050125-A1 SUBSTITUTED BENZOXAZOLYLAMINO BENZOXAZOLES IMMVENTION THERAPEUTIX (US) 2025-03-06 WO disclosed