SCHEMBL31469712

SCHEMBL31469712

CCOc1cc(OCC)ncn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.39
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
ACACB O00763 2/20 0.37
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL25924362 0.91 CYP2C19 (0.41) NQO1GABRA1GABRG2GABRB3GABRA5
SCHEMBL11893586 0.85 SMN1; SMN2 (0.40) NQO1GABRA1GABRG2GABRB3GABRA5
SCHEMBL10073990 0.84 ELOVL1 (0.36) NQO1GABRA1GABRG2GABRB3GABRA5
SCHEMBL11893585 0.84 GABRG2 (0.34) NQO1GABRA1GABRG2GABRB3GABRA5
SCHEMBL10188104 0.84 ALDH1A1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL166246 0.84 MIF (0.35) NQO1GABRA1GABRG2GABRB3GABRA5
SCHEMBL14387902 0.84 ALDH1A1 (0.39) NQO1GABRA1GABRG2GABRB3GABRA5
SCHEMBL14533152 0.82 IL1B (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL14533153 0.82 ACACB (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25924369 0.80 SMN1; SMN2 (0.62) MAPTALDH1A1NPC1MAPK1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707832-A Clean production process of 4, 6-dichloropyrimidine 河北诚信集团有限公司 2025-03-28 CN disclosed
CN-119731178-A USP1 inhibitors and uses thereof 福马治疗有限公司 2025-03-28 CN disclosed