SCHEMBL17490203

SCHEMBL17490203

Nc1ccc2c(c1)N(c1ccccc1)c1ccncc1O2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 15/20 0.37
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
STAT1 P42224 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CDK8 P49336 1/20 0.33
RPS6KA5 O75582 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
SCHEMBL17489707 0.90 CDK8 (0.38) PIM1KDM4ENPC1L3MBTL1MEN1
SCHEMBL20307931 0.84 NPC1 (0.45) KDM4ENPC1L3MBTL1MEN1ALDH1A1
SCHEMBL20172085 0.84 MAPT (0.36) PIM1KDM4EALDH1A1MAPTCA12
SCHEMBL17490039 0.84 CDK8 (0.37) KDM4ENPC1L3MBTL1MEN1ALDH1A1
SCHEMBL29214105 0.83 MAPT (0.40) PIM1KDM4ENPC1L3MBTL1MEN1
SCHEMBL20172118 0.78 CDK8 (0.38) CDK8
SCHEMBL17489712 0.77 CA12 (0.36) PIM1ALDH1A1CA12CA1CA2
SCHEMBL20308081 0.77 ALDH1A1 (0.38) KDM4ENPC1L3MBTL1ALDH1A1MAPT
SCHEMBL20172210 0.76 NPC1 (0.35) KDM4ENPC1L3MBTL1MEN1ALDH1A1
SCHEMBL20172215 0.76 ADRA2A (0.35) KDM4ENPC1L3MBTL1MEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339395-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2018-06-27 EP disclosed
EP-2980182-A1 Condensed cyclic compound and organic light-emitting device including the same Samsung Electronics Co., Ltd. (KR) 2016-02-03 EP disclosed