SCHEMBL24459529

SCHEMBL24459529

Cc1cc(C(=O)Cc2ccccc2C)c(C)cc1N

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.55
MAPT P10636 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CTBP2 P56545 1/20 0.43
CNR2 P34972 2/20 0.42
MAPK8 P45983 1/20 0.41
NPC1 O15118 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
MAOB P27338 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL30481767 1.00 SHBG (0.55) SHBGMAPTMEN1KMT2AHPGD
SCHEMBL28696476 0.82 ALDH1A1 (0.60) SHBGMAPTMEN1KMT2AHPGD
SCHEMBL29036622 0.79 MEN1 (0.50) SHBGMAPTMEN1KMT2AHPGD
SCHEMBL7042925 0.78 MEN1 (0.63) SHBGMAPTMEN1KMT2AHPGD
SCHEMBL22691982 0.78 ALDH1A1 (0.49) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL11348407 0.75 SHBG (0.67) SHBGMAPTMEN1KMT2AHPGD
SCHEMBL11833107 0.75 MAPK1 (0.41) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL24459450 0.75 SHBG (0.48) SHBGMAPTMEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL11583639 0.73 MAPK1 (0.43) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8415 0.73 SHBG (0.63) SHBGMAPTMEN1KMT2AHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116457340-A Fungicidal aryl amidines 科迪华农业科技有限责任公司 2023-07-18 CN disclosed
WO-2022109361-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2022-05-27 WO disclosed