SCHEMBL16768525

SCHEMBL16768525

c1ccc(-c2sc(-c3ccccn3)c3c4ccncc4c4cnccc4c23)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
MAPT P10636 3/20 0.44
GLA P06280 1/20 0.44
CYP2A6 P11509 1/20 0.43
LMNA P02545 3/20 0.42
METAP1 P53582 2/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
ATM Q13315 1/20 0.42
METAP2 P50579 2/20 0.39
TP53 P04637 4/20 0.37

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
SCHEMBL16768527 0.77 TNF (0.43) KDM4EMAPTCYP2A6CYP1A2SMN1; SMN2
SCHEMBL16768526 0.75 NOTUM (0.42) KDM4ENPC1RAB9AMAPTCYP1A2
SCHEMBL1102564 0.73 KDM4E (0.50) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL16768535 0.72 CSNK2A2 (0.41) KDM4ERAB9AMAPTLMNAATM
SCHEMBL6743757 0.72 KDM4E (0.60) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL16768528 0.71 TNF (0.49) KDM4ENPC1RAB9AMAPTLMNA
SCHEMBL16768536 0.71 TNF (0.41) NPC1GLACYP1A2POLBTP53
SCHEMBL16768530 0.71 TNF (0.41)
SCHEMBL16768537 0.70 CYP3A4 (0.36) KDM4ENPC1RAB9AMAPTCYP2A6
SCHEMBL6747692 0.69 CYP2A6 (0.64) KDM4ENPC1RAB9AMAPTGLA

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-9666809-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 US disclosed
US-9666809-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 US disclosed
US-20150155497-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-04 US disclosed
US-20150155497-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-04 US disclosed