SCHEMBL16639295

SCHEMBL16639295

c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6c(-c7ccc(N(c8ccc9ccccc9c8)c8ccc(-c9ccccc9)cc8-c8ccccc8)cc7)ccc7ccc4c5c76)cc3)c3ccc4ccccc4c3)c(-c3ccccc3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
PTGES O14684 2/20 0.31
ALOX5 P09917 2/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
XBP1 P17861 1/20 0.31
PTBP1 P26599 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
GALK1 P51570 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL16639310 0.96 HSD17B1 (0.33) HSD17B1HSD17B2ESR1ESR2MEN1
SCHEMBL16639635 0.94 HSD17B1 (0.35) HSD17B1HSD17B2ESR1ESR2MEN1
SCHEMBL16639631 0.94 HSD17B1 (0.35) HSD17B1HSD17B2ESR1ESR2MEN1
SCHEMBL16639276 0.92 HSD17B1 (0.35) HSD17B1HSD17B2ESR1ESR2MEN1
SCHEMBL16639281 0.92 HSD17B1 (0.35) HSD17B1HSD17B2ESR1ESR2MEN1
SCHEMBL16639287 0.90 MAPK1 (0.32) HSD17B1HSD17B2PTGESALOX5MEN1
SCHEMBL16639323 0.90 HSD17B1 (0.33) HSD17B1HSD17B2ESR1ESR2MEN1
SCHEMBL16639321 0.90 HSD17B1 (0.33) HSD17B1HSD17B2ESR1ESR2MEN1
SCHEMBL16641969 0.90 HSD17B1 (0.36) HSD17B1HSD17B2ESR1ESR2MEN1
SCHEMBL22435752 0.89 ESR1 (0.40) HSD17B1HSD17B2ESR1ESR2PTGES

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-9293712-B2 Disubstituted pyrene compounds with amino group containing ortho aryl group and devices containing the same UNIVERSAL DISPLAY CORPORATION (US) 2016-03-22 US disclosed
US-9293712-B2 Disubstituted pyrene compounds with amino group containing ortho aryl group and devices containing the same UNIVERSAL DISPLAY CORPORATION (US) 2016-03-22 US disclosed
US-20150102321-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-04-16 US disclosed
US-20150102290-A1 DISUBSTITUTED PYRENE COMPOUNDS WITH AMINO GROUP CONTAINING ORTHO ARYL GROUP UNIVERSAL DISPLAY CORPORATION (US) 2015-04-16 US disclosed
US-20150102290-A1 DISUBSTITUTED PYRENE COMPOUNDS WITH AMINO GROUP CONTAINING ORTHO ARYL GROUP UNIVERSAL DISPLAY CORPORATION (US) 2015-04-16 US disclosed
US-20150102321-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-04-16 US disclosed