SCHEMBL31389285

SCHEMBL31389285

CCOc1cc(C(=O)O)nc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.70
P2RY12 Q9H244 3/20 0.57
KDM4E B2RXH2 4/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 2/20 0.48
NCF1 P14598 1/20 0.48
GUSB P08236 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL18528819 1.00 ALOX15 (0.70) ALOX15P2RY12KDM4ELMNASMN1; SMN2
SCHEMBL31389238 0.87 ALOX15 (0.57) ALOX15P2RY12KDM4ELMNASMN1; SMN2
SCHEMBL9378807 0.85 ALOX15 (0.66) ALOX15P2RY12KDM4ESMN1; SMN2ALDH1A1
SCHEMBL30744749 0.84 ALOX15 (0.65) ALOX15P2RY12ALDH1A1HPGDHSD17B10
SCHEMBL20515870 0.84 ALOX15 (0.69) ALOX15P2RY12KDM4EALDH1A1HPGD
SCHEMBL30438659 0.84 ALOX15 (0.69) ALOX15P2RY12KDM4EALDH1A1HPGD
SCHEMBL2908552 0.84 ALOX15 (0.64) ALOX15SMN1; SMN2
SCHEMBL31389237 0.84 ALOX15 (0.64) ALOX15SMN1; SMN2
SCHEMBL30438115 0.84 ALOX15 (0.64) ALOX15P2RY12ALDH1A1HPGDNCF1
SCHEMBL19579748 0.83 ALOX15 (0.49) ALOX15P2RY12LMNASMN1; SMN2TP53

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-119264047-A Quinoline derivative histone deacetylase inhibitor and preparation method and application thereof 山东大学 2025-01-07 CN disclosed