SCHEMBL16990880

SCHEMBL16990880

Brc1sc(-c2ccccn2)nc1-c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 3/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPT P10636 2/20 0.53
ATM Q13315 1/20 0.53
IDO1 P14902 1/20 0.53
MIF P14174 1/20 0.47
GABRA1 P14867 1/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL14840435 0.83 PRCP (0.50) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL14849695 0.83 PRCP (0.50) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31361561 0.81 TGFBR1 (0.55) KDM4ENPC1RAB9ATP53SMN1; SMN2
SCHEMBL4531893 0.76 KDM4E (0.49) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL15993666 0.76 KDR (0.44) KDM4ENPC1RAB9ATP53SMN1; SMN2
SCHEMBL13801127 0.75 KDM4E (0.63) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL6372588 0.74 MECP2 (0.55) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL16486277 0.74 KDM4E (0.53) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL11463722 0.72 IDO1 (0.57) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL29870798 0.72 KDM4E (0.77) KDM4ENPC1RAB9AALDH1A1TP53

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-9966540-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-08 US disclosed
US-20150228911-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2015-08-13 US disclosed