SCHEMBL13649228

SCHEMBL13649228

c1ccc2cc(-c3c4ccccc4c(-c4ccnc5ccccc45)c4ccccc34)ncc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.54
▸ NPC1 O15118 2/20 0.43
▸ TGFBR1 P36897 11/20 0.42
▸ MAPK14 Q16539 10/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GPR3 P46089 1/20 0.42
▸ TGFBR2 P37173 1/20 0.41
▸ ABL2 P42684 1/20 0.41
▸ CSNK1A1 P48729 1/20 0.41
▸ CSNK1D P48730 1/20 0.41
▸ MAP3K20 Q9NYL2 1/20 0.41
▸ GRM4 Q14833 2/20 0.40
▸ THRB P10828 1/20 0.39
▸ NFATC1 O95644 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39

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
SCHEMBL20873063 0.88 CYP1A2 (0.59) CYP1A2NPC1TGFBR1MAPK14KDM4E
SCHEMBL24662854 0.81 NPC1 (0.51) CYP1A2NPC1KDM4EALDH1A1HPGD
SCHEMBL18858293 0.80 CYP1A2 (0.51) CYP1A2NPC1TGFBR1MAPK14RAB9A
SCHEMBL17932587 0.78 CYP1A2 (0.56) CYP1A2NPC1TGFBR1MAPK14KDM4E
SCHEMBL24662791 0.78 CYP1A2 (0.48) CYP1A2NPC1TGFBR1MAPK14KDM4E
SCHEMBL18774880 0.77 NPC1 (0.49) NPC1RAB9A
SCHEMBL1103591 0.77 NPC1 (0.41) CYP1A2NPC1KDM4ERAB9AGPR3
SCHEMBL17932588 0.77 CYP1A2 (0.48) CYP1A2NPC1TGFBR1MAPK14KDM4E
SCHEMBL1102838 0.76 NPC1 (0.43) CYP1A2NPC1KDM4EALDH1A1HPGD
SCHEMBL24662631 0.76 NPC1 (0.49) CYP1A2NPC1KDM4ERAB9AGRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090243473-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-10-01 — — US disclosed
US-20090243473-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-10-01 — — US disclosed
EP-2053672-A1 ORGANIC ELECTROLUMINESCENCE DEVICE Idemitsu Kosan Co., Ltd. (JP) 2009-04-29 — — EP disclosed
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