SCHEMBL7966498

SCHEMBL7966498

C=C1N(c2ccccc2)CCN1c1cc2cc(Cl)ccc2nc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAT2A P31153 2/20 0.39
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
PIK3CA P42336 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 1/20 0.35
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
KCNH2 Q12809 1/20 0.34
NR1I3 Q14994 1/20 0.34
HTR3A P46098 1/20 0.33
METAP1 P53582 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL10140203 0.86 MAT2A (0.44) HRH4MEN1KMT2AMAT2ANPC1
SCHEMBL7976237 0.82 SMN1; SMN2 (0.38) HRH4MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL10133974 0.66 SIGMAR1 (0.58) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL13227195 0.65 MAPK1 (0.48) HRH4MEN1KMT2AMAT2AMAPT
SCHEMBL31577611 0.65 KDM4E (0.60) HRH4MEN1KMT2AMAT2ANPC1
SCHEMBL19353933 0.65 HRH4 (0.45) HRH4MEN1KMT2AMAT2ARAB9A
SCHEMBL19353934 0.64 HRH4 (0.43) HRH4MEN1KMT2AMAT2ARAB9A
SCHEMBL7970287 0.64 AMY1A (0.46) HRH4MEN1KMT2AMAT2ARAB9A
SCHEMBL28087556 0.64 HTT (0.52) HRH4SMN1; SMN2MAPT
SCHEMBL28087640 0.63 RXFP1 (0.53) MEN1KMT2ASMN1; SMN2

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-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed