SCHEMBL22004949

SCHEMBL22004949

OC(c1ccccc1)(c1ccccc1)c1cc(Br)c2cccnc2c1-c1cccc2c1oc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.39
▸ GGPS1 O95749 1/20 0.38
▸ MEN1 O00255 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ HTT P42858 4/20 0.37
▸ TP53 P04637 3/20 0.37
▸ HSP90AA1 P07900 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ USP2 O75604 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SLC40A1 Q9NP59 1/20 0.34
▸ NPSR1 Q6W5P4 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ EGFR P00533 1/20 0.33

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
SCHEMBL18566653 0.87 ALOX5 (0.43) ALOX5GGPS1MEN1KMT2ACYP2C19
SCHEMBL18364037 0.75 ALOX5 (0.42) ALOX5GGPS1MEN1KMT2ACYP2C19
SCHEMBL4552061 0.74 ALOX5 (0.51) ALOX5GGPS1MEN1KMT2ACYP2C19
SCHEMBL21902313 0.74 KDM4E (0.42) ALOX5MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL21102390 0.73 ALOX5 (0.49) ALOX5GGPS1MEN1KMT2ACYP2C19
SCHEMBL16614125 0.73 ALOX5 (0.46) ALOX5GGPS1MEN1KMT2ACYP2C19
SCHEMBL1102938 0.73 ALOX5 (0.46) ALOX5GGPS1MEN1KMT2AKDM4E
SCHEMBL28840024 0.71 KMT2A (0.49) MEN1KMT2AKDM4EHTTTP53
SCHEMBL1103050 0.71 ALOX5 (0.44) ALOX5GGPS1MEN1KMT2AKDM4E
SCHEMBL17814813 0.71 CYP2C19 (0.54) ALOX5GGPS1MEN1KMT2AKDM4E

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-3654395-A1 ORGANIC LIGHT EMITTING DIODE HAVING HIGH EFFICIENCY SFC Co., Ltd. (KR) 2020-05-20 — — EP disclosed
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