SCHEMBL16312178

SCHEMBL16312178

c1ccc(-c2nc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)no2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 3/20 0.66
▸ SMN1; SMN2 Q16637 10/20 0.62
▸ TP53 P04637 6/20 0.62
▸ HSD17B10 Q99714 5/20 0.62
▸ KDM4E B2RXH2 4/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ RAB9A P51151 8/20 0.59
▸ NPC1 O15118 7/20 0.59
▸ NFKB1 P19838 5/20 0.59
▸ NFKB2 Q00653 5/20 0.59
▸ RELA Q04206 5/20 0.59
▸ MAPT P10636 5/20 0.58
▸ HPGD P15428 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ TSHR P16473 1/20 0.56

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
SCHEMBL16312172 0.98 NR1H4 (0.64) NR1H4SMN1; SMN2TP53HSD17B10KDM4E
SCHEMBL30757478 0.81 ALOX5 (0.52) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL20954050 0.81 ALOX5 (0.52) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL17640602 0.81 NR1H4 (0.91) NR1H4SMN1; SMN2TP53HSD17B10KDM4E
SCHEMBL321073 0.81 NR1H4 (0.91) NR1H4SMN1; SMN2TP53HSD17B10KDM4E
SCHEMBL1473020 0.81 NR1H4 (1.00) NR1H4SMN1; SMN2TP53HSD17B10KDM4E
SCHEMBL21709137 0.80 ALOX5 (0.50) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL16312176 0.79 NPC1 (0.59) SMN1; SMN2TP53HSD17B10KDM4EALDH1A1
SCHEMBL17125545 0.78 NR1H4 (0.70) NR1H4SMN1; SMN2TP53HSD17B10KDM4E
SCHEMBL16312177 0.78 NPC1 (0.57) SMN1; SMN2TP53HSD17B10KDM4EALDH1A1

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-8912548-B2 Organic light-emitting diode comprising amine-based compounds and anthracene-based compounds SAMSUNG DISPLAY CO., LTD. (KR) 2014-12-16 — — US disclosed
US-8912548-B2 Organic light-emitting diode comprising amine-based compounds and anthracene-based compounds SAMSUNG DISPLAY CO., LTD. (KR) 2014-12-16 — — US disclosed
Send feedback