SCHEMBL27418909

SCHEMBL27418909

N#Cc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ccc(C#N)cc2F)C4=O)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
CASP3 P42574 1/20 0.45
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
NR1H3 Q13133 1/20 0.39
AR P10275 1/20 0.38
EGLN2 Q96KS0 4/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
BRD1 O95696 1/20 0.37
TAF1 P21675 1/20 0.37
BRPF1 P55201 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
SLC6A9 P48067 2/20 0.36
HTR7 P34969 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL27418762 0.83 CASP3 (0.46) ESR1ESR2CASP3NR1H3AR
SCHEMBL27418931 0.78 ESR1 (0.42) ESR1ESR2ARBRD1TAF1
SCHEMBL14268812 0.73 ESR1 (0.50) ESR1ESR2CA1CA2
SCHEMBL5573414 0.73 POLB (0.58) ESR1ESR2NR1H3CA1CA2
SCHEMBL11542239 0.72 PPOX (0.47) ADRA1DADRA1AADRA1BCYP11B1CYP11B2
SCHEMBL23312265 0.71 MGLL (0.57) ESR1ESR2
SCHEMBL15117102 0.69 SLC6A9 (0.57) ADRA1DADRA1AADRA1BARCYP11B1
SCHEMBL31036614 0.69 POLB (0.49) NR1H3CA1CA2
SCHEMBL31466783 0.68 ALDH1A1 (0.41) OPRM1OPRL1
SCHEMBL26109284 0.68 ALDH1A1 (0.41) OPRM1OPRL1

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-2024135508-A1 COMPOUND, ORGANIC THIN FILM, PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, PHOTOSENSOR AND SOLID-STATE IMAGING DEVICE 三菱瓦斯化学株式会社 2024-06-27 WO disclosed