SCHEMBL15460360

SCHEMBL15460360

c1ccc2c(-c3cc4sc5cc(-c6csc7ccccc67)c6cnccc6c5c4c4ccncc34)csc2c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAP3K7 O43318 4/20 0.37
TAB1 Q15750 4/20 0.37
PTGER2 P43116 4/20 0.36
CYP2A6 P11509 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM1A O60341 1/20 0.34
MAPT P10636 1/20 0.34
ERN1 O75460 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
APP P05067 1/20 0.33

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
SCHEMBL15460306 0.87 MAPT (0.43) CYP2A6ALDH1A1KDM1AMAPTERN1
SCHEMBL15460354 0.85 MAP3K7 (0.41) CYP11B1CYP11B2MAP3K7TAB1PTGER2
SCHEMBL15460264 0.83 CYP11B1 (0.37) CYP11B1CYP11B2MAP3K7TAB1PTGER2
SCHEMBL15460182 0.80 MAP3K7 (0.43) CYP11B1CYP11B2MAP3K7TAB1PTGER2
SCHEMBL15460310 0.78 ALOX5 (0.43) ALDH1A1RAB9ASMN1; SMN2MAPTCCNC
SCHEMBL15460326 0.74 CYP11B1 (0.47) CYP11B1CYP11B2MAP3K7TAB1CYP2A6
SCHEMBL15460323 0.72 ERN1 (0.36) CYP2A6MAPTERN1APP
SCHEMBL13408716 0.72 ERN1 (0.42) CYP2A6ALDH1A1KDM1AMAPTERN1
SCHEMBL4381193 0.71 CYP2A6 (0.54) CYP2A6ALDH1A1KDM1AMAPTERN1
SCHEMBL21180556 0.70 MAP3K7 (0.36) CYP11B1CYP11B2MAP3K7TAB1PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9385327-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-05 US disclosed
US-9385327-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-05 US disclosed
US-9349966-B2 2016-05-24 US disclosed
US-9349966-B2 2016-05-24 US disclosed
US-20140034915-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO. LTD. (KR) 2014-02-06 US disclosed
US-20140034915-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO. LTD. (KR) 2014-02-06 US disclosed