SCHEMBL16310896

SCHEMBL16310896

Brc1cc2c(s1)c1sc(-c3ccccc3)cc1n2-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ ERCC5 P28715 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ PTP4A3 O75365 1/20 0.33
▸ PTP4A2 Q12974 1/20 0.33
▸ PTP4A1 Q93096 1/20 0.33
▸ MCHR1 Q99705 1/20 0.32

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
SCHEMBL16291437 0.97 AVPR1A (0.36) KDM4EATML3MBTL1IKBKBERCC5
SCHEMBL15616960 0.92 KDM4E (0.38) KDM4EATML3MBTL1MAPTHSD17B10
SCHEMBL15616957 0.88 KDM4E (0.43) KDM4EATML3MBTL1MAPTLMNA
SCHEMBL16291357 0.85 ALDH1A1 (0.37) KDM4EL3MBTL1NPC1RAB9AMAPT
SCHEMBL16789304 0.79 L3MBTL1 (0.42) KDM4EATML3MBTL1NPC1RAB9A
SCHEMBL16603570 0.79 HSD17B10 (0.35) KDM4EATML3MBTL1HSD17B10ALDH1A1
SCHEMBL15616879 0.78 KDM4E (0.35) KDM4EATML3MBTL1ERCC5FEN1
SCHEMBL14013728 0.78 IKBKB (0.36) KDM4EATML3MBTL1IKBKBERCC5
SCHEMBL12483874 0.78 L3MBTL1 (0.55) KDM4EATML3MBTL1MAPTHSD17B10
SCHEMBL38654732 0.77 CYP2A6 (0.37) KDM4EATML3MBTL1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9437826-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-09-06 — — US disclosed
US-9437826-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-09-06 — — US disclosed
US-20140367657-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2014-12-18 — — US disclosed
US-20140367657-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2014-12-18 — — US disclosed
Send feedback