SCHEMBL17801461

SCHEMBL17801461

[CH2]Cc1cccc(C(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.45
MRGPRX4 Q96LA9 3/20 0.41
PGK1 P00558 4/20 0.41
PGK2 P07205 4/20 0.41
NOTUM Q6P988 1/20 0.33
KIF11 P52732 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
MAOA P21397 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL2921664 0.83 HDAC4 (0.42) KIF11TAAR1MAOASLC6A2SLC6A4
SCHEMBL9223226 0.83 DAO (0.45) DAOMRGPRX4PGK1PGK2NOTUM
SCHEMBL6297454 0.80 DAO (0.46) DAOMRGPRX4PGK1PGK2NOTUM
SCHEMBL21802668 0.79 MEN1 (0.47) PGK1PGK2HTR2AHTR2B
SCHEMBL28874730 0.79 TAAR1 (0.42) HTR2AHTR2CHTR2BTAAR1MAOA
SCHEMBL21802665 0.79 MEN1 (0.47) PGK1PGK2HTR2AHTR2B
SCHEMBL13888659 0.78 DAO (0.45) DAOMRGPRX4PGK1PGK2HTR2A
SCHEMBL9223232 0.78 DAO (0.45) DAOMRGPRX4PGK1PGK2NOTUM
SCHEMBL9216952 0.78 ENPP2 (0.45) DAOMRGPRX4PGK1PGK2RXRA
SCHEMBL9216943 0.78 DAO (0.49) DAOMRGPRX4PGK1PGK2NOTUM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117279933-A Cyclic compounds having selective KRAS inhibition relative to HRAS and NRAS 中外制药株式会社 2023-12-22 CN disclosed
CN-106478497-A Aryl amine derivatives as TTX S blocker 拉夸里亚创药株式会社 2017-03-08 CN disclosed
WO-2016087593-A1 NOVEL FUNGICIDAL QUINOLINYLAMIDINES SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 WO disclosed