SCHEMBL672416

SCHEMBL672416

CCc1c[nH]nc1C(=O)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CDK2 P24941 2/20 0.49
CCNA2 P20248 1/20 0.49
FLT3 P36888 1/20 0.49
CCNA1 P78396 1/20 0.49
RAB9A P51151 6/20 0.47
NPC1 O15118 3/20 0.47
CCNE2 O96020 1/20 0.46
CCNE1 P24864 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATR Q13535 1/20 0.44
TP53 P04637 2/20 0.43
GAA P10253 1/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL15117404 0.83 SMN1; SMN2 (0.48) ALDH1A1FLT3RAB9ANPC1L3MBTL1
SCHEMBL2158149 0.81 HPGD (0.51) ALDH1A1CDK2CCNA2FLT3CCNA1
SCHEMBL646345 0.80 KMT2A (0.53) ALDH1A1CDK2CCNA2FLT3CCNA1
SCHEMBL13816814 0.79 FLT3 (0.49) ALDH1A1CDK2CCNA2FLT3CCNA1
SCHEMBL954249 0.78 ATR (0.54) CDK2CCNA2FLT3CCNA1RAB9A
SCHEMBL26784592 0.78 BCL2 (0.49) ALDH1A1CDK2CCNA2FLT3CCNA1
SCHEMBL5267186 0.78 NAPRT (0.51) ALDH1A1CDK2CCNA2FLT3CCNA1
SCHEMBL5269280 0.77 CYP1A2 (0.58) ALDH1A1RAB9ANPC1CYP1A2CYP2C19
SCHEMBL957616 0.77 CHRNB2 (0.53) ALDH1A1CDK2CCNA2FLT3CCNA1
SCHEMBL22236104 0.75 RXFP1 (0.47) ALDH1A1CDK2CCNA2FLT3CCNA1

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
EP-2605656-A1 USE OF N-PHENYLETHYLPYRAZOLE CARBOXAMIDE DERIVATIVES OR SALTS THEREOF FOR CONTROLLING POWDERY MILDEW PRIMARY INFECTIONS Bayer Intellectual Property GmbH (DE) 2013-06-26 EP disclosed
WO-2012022705-A1 USE OF N-PHENYLETHYLPYRAZOLE CARBOXAMIDE DERIVATIVES OR SALTS THEREOF FOR CONTROLLING POWDERY MILDEW PRIMARY INFECTIONS BAYER CROPSCIENCE AG (DE) 2012-02-23 WO disclosed