SCHEMBL28293830

SCHEMBL28293830

CC(=O)Nc1cc(C)c(Cc2cccc(Cl)c2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 2/20 0.42
CNR1 P21554 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
HSP90AA1 P07900 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 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
SCHEMBL28293831 0.85 LMNA (0.41) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL28293837 0.84 NPC1 (0.48) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL357999 0.73 MEN1 (0.71) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10600292 0.71 MAOB (0.69) SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL10600206 0.70 MAOB (0.70) LMNASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL11408312 0.70 LMNA (0.50) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10890401 0.69 LMNA (0.54) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL29521416 0.69 HDAC1 (0.64) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL21114827 0.69 HDAC1 (0.64) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL29937482 0.69 NPC1 (0.55) MEN1KMT2ANPC1RAB9A

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-109843056-A 4-substituted phenylamine derivatives and their use for protecting crops against undesired phytopathogenic microorganisms 印度商皮埃企业有限公司 2019-06-04 CN disclosed