SCHEMBL27201219

SCHEMBL27201219

CC(=O)Nc1cc(C)c(Cc2ccccc2F)cc1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.45
NPC1 O15118 5/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAOB P27338 1/20 0.39

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
SCHEMBL30290872 0.87 HPGD (0.53) ALDH1A1LMNAHPGDNPC1MAPT
SCHEMBL28293813 0.75 SMN1; SMN2 (0.45) ALDH1A1LMNAHPGDNPC1MAPT
SCHEMBL28293809 0.75 HSD17B10 (0.46) ALDH1A1LMNAHPGDNPC1MAPT
SCHEMBL21971473 0.74 TAAR1 (0.41) ALDH1A1
SCHEMBL23926291 0.73 KMT2A (0.46) ALDH1A1LMNAKDM4EHPGDNPC1
SCHEMBL30290868 0.73 TSHR (0.46) ALDH1A1LMNAKDM4EHPGDNPC1
SCHEMBL29819513 0.73 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EHPGDNPC1
SCHEMBL31569460 0.71 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EHPGDNPC1
SCHEMBL20565744 0.71 ALDH1A1 (0.41) ALDH1A1LMNAHPGDNPC1MAPT
SCHEMBL4250189 0.71 RAB9A (0.50) ALDH1A1LMNAKDM4ENPC1MAPT

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-3525588-B1 4-SUBSTITUTED PHENYLAMIDINE DERIVATIVES AND THEIR USE TO PROTECT CROPS BY FIGHTING UNDESIRED PHYTOPATHOGENIC MICOORGANISMS PI INDUSTRIES LTD (IN) 2024-04-24 EP disclosed