SCHEMBL11062897

SCHEMBL11062897

Cc1cc(-c2cccnc2)n2ncnc2n1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.74
▸ MAPT P10636 1/20 0.74
▸ MAPK1 P28482 1/20 0.74
▸ ALDH1A1 P00352 6/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ HPGD P15428 2/20 0.65
▸ TSHR P16473 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ LMNA P02545 2/20 0.63
▸ GAA P10253 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ PKM P14618 1/20 0.54
▸ PDE2A O00408 6/20 0.53
▸ ENPP1 P22413 1/20 0.47

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
SCHEMBL11057496 0.79 SMN1; SMN2 (1.00) KDM4EMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL22342534 0.79 KDM4E (1.00) KDM4EMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL10123160 0.75 KDM4E (0.67) KDM4EMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL11009952 0.75 CYP2A6 (0.46) KDM4EMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL11059625 0.71 ALDH1A1 (0.72) KDM4EMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL15984859 0.69 CYP2A6 (0.62) KDM4EALDH1A1L3MBTL1
SCHEMBL259453 0.69 ALDH1A1 (1.00) KDM4EMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL10991094 0.69 ALDH1A1 (0.60) KDM4EALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL22342511 0.69 KDM4E (0.60) KDM4EMAPTMAPK1ALDH1A1HPGD
SCHEMBL3714930 0.68 KDM4E (0.52) KDM4EMAPTMAPK1ALDH1A1HPGD

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
US-4444774-A TRANQUILIZERS AMERICAN CYANAMID COMPANY (US) 1984-04-24 — — US disclosed
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