SCHEMBL15740545

SCHEMBL15740545

CC(C)(C)Nc1cc(Br)ncc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
GPR35 Q9HC97 1/20 0.33
GALR2 O43603 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL15740616 0.84 ADRB2 (0.33) ALDH1A1MEN1KMT2AMAPK1HTT
SCHEMBL15740612 0.82 LATS1 (0.35) ALDH1A1MEN1KMT2AMAPK1HTT
SCHEMBL30698940 0.82 POLB (0.42) ALDH1A1MEN1KMT2AMAPK1HTT
SCHEMBL1585679 0.82 POLB (0.42) ALDH1A1MEN1KMT2AMAPK1HTT
SCHEMBL15740572 0.81 AHR (0.38) ALDH1A1MEN1KMT2AMAPK1HTT
SCHEMBL28179871 0.79 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPK1HTT
SCHEMBL15740952 0.78 SMN1; SMN2 (0.34) ALDH1A1MEN1KMT2AMAPK1HTT
SCHEMBL15749743 0.78
SCHEMBL5065720 0.78 MAPT (0.45) ALDH1A1MAPK1HTTLMNAGAA
SCHEMBL15740573 0.78 MAPT (0.46) ALDH1A1MAPK1HTTCYP1A2LMNA

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
WO-2014081718-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2014-05-30 WO disclosed