SCHEMBL29135915

SCHEMBL29135915

C=CCc1cc(Oc2ccc(C#N)c(CC=C)c2)ccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.41
CYP19A1 P11511 2/20 0.40
PDE4B Q07343 1/20 0.38
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
MAOB P27338 2/20 0.35
NOS2 P35228 1/20 0.35
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL30132473 0.91 AR (0.52) ARALDH1A1HPGDMAOBCYP3A4
SCHEMBL11757098 0.82 FNTA (0.43) AR
SCHEMBL9447454 0.81 AR (0.38) ARALDH1A1SMN1; SMN2
SCHEMBL2164753 0.79 XDH (0.44) ARALDH1A1HPGDMAOBTP53
SCHEMBL370082 0.79 KDM4E (0.44) ALDH1A1HPGDMAOBTP53CYP3A4
SCHEMBL8770000 0.77 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL1444530 0.77 AR (0.50) ARCYP19A1ALDH1A1HPGDMAOB
SCHEMBL21192542 0.77 MAPT (0.37) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL29135913 0.76 MAOB (0.46) ARMAOB
SCHEMBL4174164 0.74 AR (0.60) AR

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
CN-110637256-B Material for forming film for lithography, composition for forming film for lithography, underlayer film for lithography, and pattern forming method 三菱瓦斯化学株式会社 2024-01-09 CN disclosed