SCHEMBL18533934

SCHEMBL18533934

c1ccc(Nc2ccc(-c3ccccc3)cc2-c2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ RAF1 P04049 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ ALK Q9UM73 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ NAMPT P43490 1/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ EGFR P00533 1/20 0.48
▸ PRKCA P17252 1/20 0.48
▸ PRKCD Q05655 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ABCB1 P08183 2/20 0.47
▸ CYP19A1 P11511 2/20 0.45
▸ CYP11B1 P15538 2/20 0.45

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
SCHEMBL29666526 0.84 ADRA2C (0.55) LMNACYP1A2CYP3A4RAF1MAPK1
SCHEMBL29666528 0.84 ADRA2C (0.55) LMNACYP1A2CYP3A4RAF1MAPK1
SCHEMBL14461554 0.84 ALK (0.50) LMNACYP1A2CYP3A4MAPK1NPC1
SCHEMBL17661359 0.82 ALK (0.49) LMNACYP1A2CYP3A4MAPK1NPC1
SCHEMBL17661457 0.80 ALK (0.47) LMNACYP1A2CYP3A4MAPK1NPC1
SCHEMBL15662804 0.80 ALK (0.46) LMNACYP3A4MAPK1NPC1RAB9A
SCHEMBL22435802 0.80 ALK (0.46) LMNACYP3A4MAPK1NPC1RAB9A
SCHEMBL20484337 0.80 ALK (0.46) LMNACYP3A4MAPK1NPC1RAB9A
SCHEMBL30406285 0.80 ALK (0.46) LMNACYP3A4MAPK1NPC1RAB9A
SCHEMBL16383523 0.80 ADRA2C (0.48) LMNACYP1A2CYP3A4RAF1MAPK1

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
EP-3133665-A1 ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co., Ltd. (JP) 2017-02-22 — — EP disclosed
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