SCHEMBL4402811

SCHEMBL4402811

Cc1ccc(C)c(-c2ccc(-c3ccccn3)nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.44
BTK Q06187 1/20 0.44
HPGDS O60760 1/20 0.43
KDM4E B2RXH2 4/20 0.42
LMNA P02545 3/20 0.42
P4HTM Q9NXG6 2/20 0.42
METAP1 P53582 2/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
POLB P06746 2/20 0.42
CYP1A2 P05177 2/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
NPC1 O15118 3/20 0.42
TP53 P04637 3/20 0.42
PKM P14618 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42

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
SCHEMBL4401757 0.89 CCR1 (0.50) CCR1CCR5CCR8POLBNPC1
SCHEMBL4407003 0.87 TGFBR1 (0.46) TGFBR1BTKHPGDSKDM4ELMNA
SCHEMBL4402808 0.86 DHODH (0.43) KDM4ECCR1CCR5CCR8NPC1
SCHEMBL17086997 0.84 TGFBR1 (0.46) TGFBR1BTKKDM4ELMNAP4HTM
SCHEMBL4402496 0.84 DHODH (0.42) KDM4ECCR1CCR5CCR8NPC1
SCHEMBL9228375 0.83 CCR1 (0.49) TGFBR1KDM4ELMNAP4HTMMETAP1
SCHEMBL21988551 0.83 NPC1 (0.49) TGFBR1BTKKDM4ELMNAP4HTM
SCHEMBL31400225 0.83 NPC1 (0.49) TGFBR1BTKKDM4ELMNAP4HTM
SCHEMBL4406997 0.82 TP53 (0.51) TGFBR1BTKKDM4ELMNAP4HTM
SCHEMBL16806017 0.82 KDM4E (0.50) BTKKDM4ELMNAP4HTMMETAP1

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-9640769-B2 Organic electric field light emitting element and production therefor MITSUBISHI CHEMICAL CORPORATION (JP) 2017-05-02 US disclosed
US-20160233445-A1 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 2016-08-11 US disclosed
US-9365767-B2 Organic electric field light emitting element and production therefor MITSUBISHI CHEMICAL CORPORATION (JP) 2016-06-14 US disclosed
US-8168307-B2 Organic compound, charge transport material and organic electroluminescent device PIONEER CORPORATION (JP) 2012-05-01 US disclosed
US-20110215312-A1 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 2011-09-08 US disclosed
US-20090066223-A1 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 2009-03-12 US disclosed