SCHEMBL15470434

SCHEMBL15470434

Clc1ccc(-c2ccc3c(c2)Oc2ccccc2N3c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 4/20 0.42
CYP1A2 P05177 1/20 0.40
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRK1 P41145 1/20 0.35
PDE4D Q08499 1/20 0.35
ELANE P08246 1/20 0.35
FAAH O00519 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL11910208 0.92 P2RX4 (0.38) P2RX4MEN1NPC1RAB9AKMT2A
SCHEMBL23220374 0.91 FAAH (0.38) P2RX4MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL23220376 0.91 FAAH (0.38) P2RX4MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL6123852 0.91 P2RX4 (0.39) P2RX4MEN1NPC1RAB9AKMT2A
SCHEMBL10331695 0.91 P2RX4 (0.39) P2RX4MEN1NPC1RAB9AKMT2A
SCHEMBL22522617 0.88 FAAH (0.39) P2RX4CYP1A2TP53SMN1; SMN2FAAH
SCHEMBL13833015 0.88 P2RX4 (0.43) P2RX4MEN1KMT2AOPRK1PDE4D
SCHEMBL23660866 0.86 ALDH1A1 (0.41) CYP1A2MEN1KMT2ATP53KDM4E
SCHEMBL29405389 0.86 OPRK1 (0.39) CYP1A2MEN1KMT2ASMN1; SMN2OPRK1
SCHEMBL28702702 0.86 OPRK1 (0.39) CYP1A2MEN1KMT2ASMN1; SMN2OPRK1

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
US-20140042412-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2014-02-13 US disclosed
US-20140042412-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2014-02-13 US disclosed