SCHEMBL28601974

SCHEMBL28601974

CC(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
ROCK2 O75116 6/20 0.55
ROCK1 Q13464 4/20 0.55
MAPK1 P28482 2/20 0.55
RPS6KA5 O75582 1/20 0.55
MAP4K4 O95819 1/20 0.55
CDK1 P06493 1/20 0.55
CSF1R P07333 1/20 0.55
PRKACA P17612 1/20 0.55
FLT1 P17948 1/20 0.55
RPS6KB1 P23443 1/20 0.55
CDK2 P24941 1/20 0.55
AKT1 P31749 1/20 0.55
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.55
FLT3 P36888 1/20 0.55

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
SCHEMBL28598671 0.83 CTSA (0.59) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL28601296 0.83 BAZ2B (0.58) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4067128 0.77 ALDH1A1 (0.71) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL28606427 0.77 TDP1 (0.51) KMT2AROCK2ROCK1MAPK1LMNA
SCHEMBL5643696 0.77 MEN1 (0.75) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL10013613 0.76 CYP1A2 (1.00) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL28374426 0.76 SMN1; SMN2 (0.51) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL17753762 0.76 L3MBTL1 (0.50) ROCK2ROCK1MAPK1MAPK3NPC1
SCHEMBL28597828 0.75 PTPN1 (0.48) ROCK2ROCK1MAPK1LMNAMAPK3
SCHEMBL2413088 0.75 ROCK2 (0.68) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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-110407824-B Aryl formamide compound and preparation method, pharmaceutical composition and application thereof 安徽医科大学 2021-07-02 CN disclosed