SCHEMBL23085288

SCHEMBL23085288

c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7nc(-c8ccccn8)nc(-c8ccccn8)n7)cc6)ccc54)cc3)nc(-c3cccnc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.43
▸ TSHR P16473 4/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP2A6 P11509 2/20 0.42
▸ CYP1A2 P05177 5/20 0.39
▸ CYP3A4 P08684 4/20 0.39
▸ CLK4 Q9HAZ1 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ NPY5R Q15761 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL17483450 0.92 KDM4E (0.44) GRM5TSHRNPC1TP53PKM
SCHEMBL17483423 0.91 KDM4E (0.43) GRM5TSHRNPC1TP53PKM
SCHEMBL17483420 0.91 KDM4E (0.43) GRM5TSHRNPC1TP53PKM
SCHEMBL17483448 0.91 CYP1A2 (0.45) TSHRNPC1TP53RAB9ASMN1; SMN2
SCHEMBL23085183 0.90 GRM5 (0.46) GRM5TSHRNPC1TP53PKM
SCHEMBL17483316 0.90 CYP1A2 (0.44) TSHRNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL17483311 0.90 CYP1A2 (0.44) TSHRNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL17483360 0.90 KDM4E (0.44) GRM5TSHRTP53PKMRAB9A
SCHEMBL17483327 0.90 CYP1A2 (0.44) TSHRNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL17483306 0.90 CYP1A2 (0.44) TSHRNPC1RAB9ASMN1; SMN2CYP1A2

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
US-20210074927-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2021-03-11 — — US disclosed
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