SCHEMBL13625130

SCHEMBL13625130

CC(C)(C)Nc1ncc(Br)cc1-c1nc2ccccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
MAPT P10636 6/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
KDM6B O15054 1/20 0.44
KDM6A O15550 1/20 0.44
ALDH1A1 P00352 6/20 0.43
HPGD P15428 4/20 0.43
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HSD17B10 Q99714 3/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL13625129 0.79 PDGFRB (0.40) KDM4EMAPTMEN1KMT2AKDM6B
SCHEMBL2384707 0.77 MET (0.63) KDM4EMAPTMEN1KMT2ATSHR
SCHEMBL2387601 0.77 KDM4E (0.47) KDM4EMAPTMEN1KMT2ATSHR
SCHEMBL13625185 0.72 MET (0.43) MAPTMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL2384700 0.71 MAPT (0.41) KDM4EMAPTMEN1KMT2ATSHR
SCHEMBL18875231 0.71 MAPT (0.63) KDM4EMAPTMEN1KMT2ATSHR
SCHEMBL10415479 0.70 MAPT (0.62) KDM4EMAPTMEN1KMT2ATSHR
SCHEMBL18875312 0.70 MAPT (0.57) KDM4EMAPTMEN1KMT2ATSHR
SCHEMBL805832 0.68 NPC1 (0.60) KDM4EMAPTMEN1KMT2ATSHR
SCHEMBL1523547 0.68 KDM6B (0.78) KDM4EMAPTMEN1KMT2ATSHR

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-2009139576-A2 PYRIDINE DERIVATIVES SUBSTITUTED WITH NOVEL BENZOXAZOLES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS FOR PREVENTION AND TREATMENT OF ABNORMAL CELL GROWTH DISEASE 한국화학연구원 (KR) 2009-11-19 WO disclosed