SCHEMBL24730596

SCHEMBL24730596

CC(CC(=O)Nc1cc(N)ccc1Cl)C(F)(F)P

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 7/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2D6 P10635 1/20 0.41
POLB P06746 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 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
SCHEMBL6161123 0.73 NPC1 (0.62) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL4016123 0.72 MEN1 (0.58) MEN1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL11290854 0.71 HSD17B10 (0.56) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL24730177 0.71 KMT2A (0.76) MEN1KMT2AALDH1A1POLBPDK1
SCHEMBL29948422 0.71 KMT2A (0.76) MEN1KMT2AALDH1A1POLBPDK1
SCHEMBL23412436 0.70 HTT (0.54) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL30641940 0.70 ALDH1A1 (0.58) MEN1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL520441 0.70 ALDH1A1 (0.58) MEN1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL24894065 0.70 ALDH1A1 (0.43) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL24730591 0.69 KMT2A (0.49) MEN1KMT2AALDH1A1CYP1A2CYP2C19

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
WO-2022204080-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2022-09-29 WO disclosed