SCHEMBL24242018

SCHEMBL24242018

C=C(CCC)NCc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.45
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
PTPN7 P35236 2/20 0.43
DUSP3 P51452 2/20 0.43
ANPEP P15144 1/20 0.43
EPHX2 P34913 1/20 0.43
CASP3 P42574 1/20 0.43
TP53 P04637 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
FFAR1 O14842 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL24242085 0.83 TP53 (0.48) TP53
SCHEMBL22858689 0.81 TP53 (0.59) SRCRAB9AMAPK1EPHX2TP53
SCHEMBL24242145 0.81 KMT2A (0.45) RAB9A
SCHEMBL24242050 0.81 CYP1A2 (0.50) TP53TAAR1FFAR1
SCHEMBL23019311 0.80 CYP3A4 (0.56) EPHX2POLB
SCHEMBL20783029 0.74 MEN1 (0.53) RAB9APOLB
SCHEMBL5390715 0.74 SRC (0.61) SRCRAB9AMAPK1ANPEPEPHX2
SCHEMBL26051555 0.74 ANPEP (0.48) SRCRAB9AMAPK1ANPEPEPHX2
SCHEMBL5315407 0.73 SRC (0.56) SRCRAB9AMAPK1ANPEPEPHX2
SCHEMBL885310 0.73 SRC (0.56) SRCRAB9AMAPK1ANPEPEPHX2

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
EP-3728235-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP disclosed