SCHEMBL31612331

SCHEMBL31612331

Clc1cc(-c2ccsc2)n2c1cnc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 8/20 0.46
PDGFRA P16234 8/20 0.46
ADORA2A P29274 1/20 0.39
FYN P06241 2/20 0.37
NPC1 O15118 1/20 0.35
CYP2A6 P11509 2/20 0.34
GRIN2B Q13224 1/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
APEX1 P27695 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL31612330 0.80 PDGFRB (0.47) PDGFRBPDGFRAADORA2ANPC1CYP2A6
SCHEMBL31612332 0.77 PDGFRB (0.46) PDGFRBPDGFRAADORA2AFYNNPC1
SCHEMBL3344499 0.74 SMN1; SMN2 (0.41) NPC1KDM4EGMNNALDH1A1CYP1A2
SCHEMBL31612339 0.69 PDGFRB (0.46) PDGFRBPDGFRAADORA2AFYNCYP2A6
SCHEMBL31612341 0.66 HSD17B10 (0.42) KDM4EGMNNALDH1A1CYP1A2CYP3A4
SCHEMBL3337856 0.63 KDM4E (0.46) KDM4EGMNNALDH1A1CYP1A2CYP3A4
SCHEMBL19180724 0.63 PDGFRB (1.00) PDGFRBPDGFRANPC1CYP2A6CYP2E1
SCHEMBL707757 0.61 PDGFRB (0.58) PDGFRBPDGFRAADORA2ANPC1CYP2A6
SCHEMBL8503219 0.61 PDGFRB (1.00) PDGFRBPDGFRANPC1CYP2A6CYP2E1
SCHEMBL6534319 0.60 TACR3 (0.46) PDGFRBPDGFRANPC1CYP2A6MAOB

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-120118091-A Preparation method of 1-chloropyrrolo [1,2-a ] quinoxaline and derivatives thereof 石河子大学 2025-06-10 CN disclosed