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SCHEMBL12896458

SCHEMBL12896458

Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c5ccc(-c6ccc(N(c7ccc(C)cc7)c7ccc(C)cc7)cc6)c6c(-c7ccc(N(c8ccc(C)cc8)c8cccc(C)c8)cc7)ccc(c7ccc(-c8ccc(N(c9ccc(C)cc9)c9ccc(C)cc9)cc8)c3c47)c65)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 4/20 0.36
▸ HSD17B2 P37059 4/20 0.36
▸ CRHR1 P34998 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GPX4 P36969 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ ACHE P22303 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KDR P35968 2/20 0.30
▸ EGFR P00533 1/20 0.30

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
SCHEMBL1261395 0.87 ALDH1A1 (0.37) CRHR1NPC1RAB9AALDH1A1ACHE
SCHEMBL401883 0.85 HSD17B1 (0.38) HSD17B1HSD17B2CRHR1NPC1RAB9A
SCHEMBL15234643 0.84 HSD17B1 (0.33) HSD17B1HSD17B2CRHR1ALDH1A1CYP1A2
SCHEMBL15234642 0.84 HSD17B1 (0.33) HSD17B1HSD17B2CRHR1ALDH1A1CYP1A2
SCHEMBL12433944 0.84 HSD17B1 (0.35) HSD17B1HSD17B2NPC1RAB9AALDH1A1
SCHEMBL12433938 0.84 HSD17B1 (0.35) HSD17B1HSD17B2NPC1RAB9AALDH1A1
SCHEMBL12433899 0.82 TDP1 (0.35) HSD17B1HSD17B2CRHR1NPC1RAB9A
SCHEMBL20201642 0.82 HSD17B1 (0.45) HSD17B1HSD17B2NPC1RAB9AALDH1A1
SCHEMBL17695178 0.82 HSD17B1 (0.45) HSD17B1HSD17B2NPC1RAB9AALDH1A1
SCHEMBL15179066 0.82 HSD17B1 (0.45) HSD17B1HSD17B2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841003-B2 Organic electric-field light-emitting element IDEMITSU KOSAN CO., LTD. (JP) 2014-09-23 — — US disclosed
US-8841003-B2 Organic electric-field light-emitting element IDEMITSU KOSAN CO., LTD. (JP) 2014-09-23 — — US disclosed
US-7879465-B2 Organic electric-field light-emitting element IDEMITSU KOSAN CO., LTD. (JP) 2011-02-01 — — US disclosed
US-7879465-B2 Organic electric-field light-emitting element IDEMITSU KOSAN CO., LTD. (JP) 2011-02-01 — — US disclosed
US-20100308315-A1 ORGANIC ELECTRIC-FIELD LIGHT-EMITTING ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-09 — — US disclosed
US-20100308315-A1 ORGANIC ELECTRIC-FIELD LIGHT-EMITTING ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-09 — — US disclosed
US-20070254186-A1 Organic electric-field light-emitting element IDEMITSU KOSAN CO., LTD. (JP) 2007-11-01 — — US disclosed
US-20070254186-A1 Organic electric-field light-emitting element IDEMITSU KOSAN CO., LTD. (JP) 2007-11-01 — — US disclosed