SCHEMBL27344845

SCHEMBL27344845

Fc1cccc(N(c2ccc(C3=NC4=NC(c5ccc(N(c6cccc(F)c6)c6cccc(F)c6)cc5)=NC5=NC(c6ccc(N(c7cccc(F)c7)c7cccc(F)c7)cc6)=NC(=N3)N45)cc2)c2cccc(F)c2)c1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CRHBP P24387 1/20 0.32
CYP2C19 P33261 1/20 0.32
CRHR2 Q13324 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
ESR2 Q92731 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30

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
SCHEMBL27344843 0.84 PTGDR2 (0.32) PTGDR2
SCHEMBL20779850 0.82 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CRHBP
SCHEMBL27345142 0.79 KIF11 (0.35)
SCHEMBL26849291 0.77 ACHE (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CRHBP
SCHEMBL15807462 0.76 CETP (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CRHBP
SCHEMBL12922773 0.76 CETP (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CRHBP
SCHEMBL24328344 0.74 ALDH1A1 (0.34) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14186204 0.73 L3MBTL1 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CRHBP
SCHEMBL26077734 0.73 RAB9A (0.37)
SCHEMBL21173399 0.71 NFE2L2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CRHBP

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
WO-2023249092-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE DEVICE, ELECTRONIC APPARATUS, EMITTER, SOLAR CELL, AND LIGHT SENSOR 出光興産株式会社 2023-12-28 WO disclosed