SCHEMBL31339760

SCHEMBL31339760

CC(C)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 3/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 2/20 0.49
CES2 O00748 1/20 0.49
ABCB11 O95342 1/20 0.49
CYP1A2 P05177 1/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
AR P10275 1/20 0.49
CHRM1 P11229 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
TBXA2R P21731 1/20 0.49
AADAC P22760 1/20 0.49
CYP2C19 P33261 1/20 0.49
ADRA1A P35348 1/20 0.49

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
SCHEMBL21461509 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTLMNAMAPK1
SCHEMBL29176025 0.87 TDP1 (0.40) ALDH1A1SMN1; SMN2HTTLMNAMAPK1
SCHEMBL10129571 0.84 GAA (0.46) ALDH1A1SMN1; SMN2HTTLMNAMAPK1
SCHEMBL25343054 0.82 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HTTLMNAMAPK1
SCHEMBL21681166 0.81 TSHR (0.47) ALDH1A1SMN1; SMN2LMNATSHRKMT2A
SCHEMBL25429447 0.81 HTT (0.41) ALDH1A1SMN1; SMN2HTTLMNAMAPK1
SCHEMBL25428522 0.79 TDP1 (0.40) ALDH1A1SMN1; SMN2HTTLMNAMAPK1
SCHEMBL8407132 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTLMNAMAPK1
SCHEMBL25341037 0.77 PKM (0.50) ALDH1A1SMN1; SMN2HTTLMNAMAPK1
SCHEMBL25429125 0.77 KMT2A (0.48) ALDH1A1LMNAMAPK1TSHRKMT2A

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-119365192-A Heteroaryl compounds as HPK1 inhibitors and methods of use thereof 深圳市原力深湾创新药有限公司 2025-01-24 CN disclosed