SCHEMBL31697698

SCHEMBL31697698

Oc1onc(N2CCc3sccc3C2)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.39
KCNQ2 O43526 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CHEK1 O14757 1/20 0.32
HSP90AA1 P07900 1/20 0.31
CYP2C19 P33261 2/20 0.31
USP2 O75604 1/20 0.31
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ADRB3 P13945 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CYP2B6 P20813 1/20 0.31
DRD1 P21728 1/20 0.31

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
SCHEMBL31697702 0.70 ALDH1A1 (0.38) SCN10AALDH1A1CYP2C19LMNACYP1A2
SCHEMBL28921395 0.62 DRD4 (0.47) KCNQ2ALDH1A1CHEK1CYP2C19USP2
SCHEMBL29242490 0.62 EGFR (0.42) SCN10AALDH1A1CHEK1CYP2C19USP2
SCHEMBL30965376 0.62 EGFR (0.42) SCN10AALDH1A1CHEK1CYP2C19USP2
SCHEMBL31514479 0.61 ESR1 (0.55) KCNQ2HSP90AA1AKR1C3
SCHEMBL10952852 0.60 CYP2C19 (0.44) KCNQ2ALDH1A1HSP90AA1CYP2C19USP2
SCHEMBL31514411 0.60 ALDH1A1 (0.51) KCNQ2ALDH1A1CYP2C19USP2ABCB11
SCHEMBL28695523 0.59 HSP90AA1 (0.40) SCN10AKCNQ2ALDH1A1CHEK1HSP90AA1
SCHEMBL14234286 0.59 DRD3 (0.57) ALDH1A1CHEK1CYP2C19USP2ABCB11
SCHEMBL3040227 0.58 DRD1 (0.45) KCNQ2ALDH1A1HSP90AA1CYP2C19USP2

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
EP-4631934-A1 FLUORINE-CONTAINING ISOXAZOLE COMPOUND AND METHOD FOR PRODUCING SAME Unimatec Co., Ltd. (JP) 2025-10-15 EP disclosed