SCHEMBL17987020

SCHEMBL17987020

CCc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)CC5)cc3)c3ccc(-c4ccc5c(c4)CC5)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY8 P40145 1/20 0.41
▸ ADCY1 Q08828 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MCHR1 Q99705 1/20 0.39
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NISCH Q9Y2I1 1/20 0.37
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ HSD17B1 P14061 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL17987021 0.94 HSD17B3 (0.41) ADCY8ADCY1NPC1RAB9AMCHR1
SCHEMBL17987007 0.93 NPC1 (0.40) ADCY8ADCY1NPC1RAB9AMCHR1
SCHEMBL13152284 0.88 NPC1 (0.46) ADCY8ADCY1NPC1RAB9AMCHR1
SCHEMBL17987009 0.87 NPC1 (0.43) ADCY8ADCY1NPC1RAB9AMCHR1
SCHEMBL17987013 0.87 TP53 (0.38) ADCY8ADCY1NPC1RAB9AMCHR1
SCHEMBL13152175 0.87 NPC1 (0.48) ADCY8ADCY1NPC1RAB9AMCHR1
SCHEMBL14036936 0.83 NPC1 (0.42) ADCY8ADCY1NPC1RAB9AMAPT
SCHEMBL12619835 0.82 ADCY8 (0.36) ADCY8ADCY1NPC1RAB9AMCHR1
SCHEMBL12619670 0.82 ADCY8 (0.36) ADCY8ADCY1NPC1RAB9AMCHR1
SCHEMBL17987014 0.81 TP53 (0.42) NPC1RAB9AMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160225998-A1 CHARGE-TRANSPORTING MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-08-04 — — US disclosed
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