SCHEMBL21727428

SCHEMBL21727428

Cc1cccc(N(CCCC(N)=O)C(=O)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.56
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 4/20 0.47
PAX8 Q06710 2/20 0.47
GPX4 P36969 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
JAK2 O60674 1/20 0.46
HTT P42858 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
PARP1 P09874 1/20 0.43
MEN1 O00255 1/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL19240708 0.88 RAB9A (0.55) ADRA2CRAB9ANPC1KMT2AALDH1A1
SCHEMBL4155161 0.83 RAB9A (0.56) ADRA2CRAB9ANPC1KMT2AALDH1A1
SCHEMBL21727423 0.81 RAB9A (0.57) ADRA2CRAB9ANPC1KMT2AALDH1A1
SCHEMBL11767643 0.80 MLYCD (0.57) ADRA2CRAB9ANPC1KMT2AALDH1A1
SCHEMBL28827956 0.78 ADRA2C (0.66) ADRA2CNPC1KMT2AALDH1A1TP53
SCHEMBL19240161 0.77 RAB9A (0.55) ADRA2CRAB9ANPC1KMT2AALDH1A1
SCHEMBL12548996 0.77 ADRA2C (0.42) ADRA2CKMT2AALDH1A1MEN1F2
SCHEMBL24832966 0.76 TSPO (0.47) RAB9ANPC1KMT2AALDH1A1PAX8
SCHEMBL13061841 0.76 RAB9A (0.54) RAB9ANPC1KMT2AALDH1A1PAX8
SCHEMBL9446163 0.75 MAPT (0.53) RAB9ANPC1KMT2AALDH1A1PAX8

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-2325165-B1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND PEST CONTROLLING METHOD MITSUI CHEMICALS AGRO INC (JP) 2020-02-19 EP disclosed