SCHEMBL7475282

SCHEMBL7475282

O=CN1CCN(c2cc3ncnc(NCc4ccc(F)cc4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP10 Q14694 1/20 0.48
PIK3C3 Q8NEB9 1/20 0.48
USP13 Q92995 1/20 0.48
EGFR P00533 7/20 0.46
ERBB2 P04626 3/20 0.46
HTT P42858 1/20 0.45
HTR6 P50406 1/20 0.42
CTNNB1 P35222 1/20 0.42
TCF7L2 Q9NQB0 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL7475664 0.92 EGFR (0.55) EGFRHTTALDH1A1MAPTTDP1
SCHEMBL7470693 0.91 HTT (0.45) USP10PIK3C3USP13EGFRHTT
SCHEMBL7473166 0.89 HTR6 (0.55) USP10PIK3C3USP13EGFRERBB2
SCHEMBL7465353 0.88 EGFR (0.50) USP10PIK3C3USP13EGFRERBB2
SCHEMBL7463091 0.87 USP10 (0.50) USP10PIK3C3USP13EGFRERBB2
SCHEMBL7466238 0.86 USP10 (0.48) USP10PIK3C3USP13EGFRERBB2
SCHEMBL7468674 0.85 PDE5A (0.57) ALDH1A1
SCHEMBL7473662 0.84 USP10 (0.47) USP10PIK3C3USP13EGFRERBB2
SCHEMBL7458966 0.83 MAPK1 (0.47) EGFRHTTHTR6CNR1CNR2
SCHEMBL7470593 0.82 HTT (0.50) HTTCNR1CNR2MAPT

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-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed