SCHEMBL28293837

SCHEMBL28293837

CC(=O)Nc1cc(C)c(Cc2ccc(Cl)cc2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 1/20 0.45
LMNA P02545 2/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CNR1 P21554 2/20 0.43
HTT P42858 1/20 0.42
USP2 O75604 1/20 0.42
RAB9A P51151 1/20 0.41
TP53 P04637 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 0.86 LMNA (0.41) NPC1ALDH1A1KMT2AMAPTMEN1
SCHEMBL28293830 0.84 LMNA (0.52) NPC1ALDH1A1KMT2AMAPTMEN1
SCHEMBL3989555 0.75 KMT2A (0.49) KMT2AMAPTMEN1HPGD
SCHEMBL3983908 0.75 MEN1 (0.50) NPC1ALDH1A1KMT2AMAPTMEN1
SCHEMBL23926291 0.74 KMT2A (0.46) NPC1ALDH1A1KMT2AMAPTMEN1
SCHEMBL11408312 0.73 LMNA (0.50) NPC1ALDH1A1KMT2AMAPTMEN1
SCHEMBL10890401 0.73 LMNA (0.54) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL197282 0.72 SMN1; SMN2 (0.67) NPC1ALDH1A1KMT2AMAPTMEN1
SCHEMBL3985532 0.72 HSP90AB1 (0.43) NPC1ALDH1A1KMT2AMAPTMEN1
SCHEMBL7919710 0.71 TAAR1 (0.36) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2

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