SCHEMBL11860404

SCHEMBL11860404

O=c1nc(-c2ccccc2)c2cc(C(F)(F)F)ccc2[nH]1.O=c1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.56
▸ MAPT P10636 4/20 0.55
▸ HPGD P15428 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ FASN P49327 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ ABCG2 Q9UNQ0 5/20 0.46
▸ CTSV O60911 1/20 0.45
▸ CTSL P07711 1/20 0.45
▸ PARP1 P09874 1/20 0.45
▸ PDE3B Q13370 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ CYP19A1 P11511 1/20 0.44

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
SCHEMBL11543395 0.90 MAPT (0.67) MAPTHPGDKDM4EHSD17B10KMT2A
SCHEMBL3488154 0.89 KDM4E (0.64) KIF11HPGDKDM4EHSD17B10KMT2A
SCHEMBL4132327 0.78 KIF11 (0.86) KIF11MAPTKDM4EKMT2AMEN1
SCHEMBL27939168 0.76 KIF11 (0.54) KIF11MAPTHPGDKMT2AMEN1
SCHEMBL29130445 0.75 KDM4E (0.68) MAPTHPGDKDM4EHSD17B10KMT2A
SCHEMBL5378388 0.74 MAPT (0.68) KIF11MAPTHPGDKMT2AMEN1
SCHEMBL11013508 0.74 NPBWR1 (0.55) MAPTHPGDKDM4EHSD17B10KMT2A
SCHEMBL4127278 0.72 KIF11 (1.00) KIF11CTSVCTSLPARP1
SCHEMBL4136730 0.72 KIF11 (0.89) KIF11CTSVCTSLPARP1
SCHEMBL11603400 0.72 KDM4E (0.69) HPGDKDM4EHSD17B10KMT2AMEN1

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-3953446-A Process for preparing quinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-27 — — US disclosed
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