SCHEMBL21776181

SCHEMBL21776181

C=Cc1oc2ccc(N)cc2c1/C=C\C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
MEN1 O00255 4/20 0.40
MAPK1 P28482 2/20 0.40
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL20724987 0.88 SMN1; SMN2 (0.41) SMN1; SMN2MAPTNPC1RAB9AGFER
SCHEMBL18574501 0.83 ALPG (0.39) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL22298393 0.81 SMN1; SMN2 (0.46) SMN1; SMN2MAPTNPC1RAB9AGFER
SCHEMBL20143200 0.79
SCHEMBL12646572 0.78 L3MBTL1 (0.37) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL23652499 0.76 PLA2G2A (0.39) SMN1; SMN2MAPTKMT2AKDM4EALDH1A1
SCHEMBL22477420 0.75 NPC1 (0.40) SMN1; SMN2MAPTNPC1RAB9AGFER
SCHEMBL23814704 0.74 PLA2G2A (0.33) SMN1; SMN2MAPTKMT2AKDM4EALDH1A1
SCHEMBL14327643 0.74 MAOB (0.36) ALDH1A1HPGDGAAALPG
SCHEMBL24136056 0.72 PLA2G2A (0.35) SMN1; SMN2MAPTKMT2AKDM4EALDH1A1

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-3750901-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-12-16 EP disclosed
EP-3613752-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-02-26 EP disclosed