SCHEMBL9979546

SCHEMBL9979546

CCn1nc(C)c(C(=O)Nc2ccccc2-c2ccc(/C=N/OC)cc2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 2/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 4/20 0.41
USP2 O75604 1/20 0.40
THRB P10828 1/20 0.40
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL9979598 0.88 LMNA (0.45) L3MBTL1SMN1; SMN2CYP1A2KMT2AMEN1
SCHEMBL14578333 0.81 SMN1; SMN2 (0.41) L3MBTL1SMN1; SMN2CYP1A2KMT2AMEN1
SCHEMBL14578372 0.81 ALDH1A1 (0.38) L3MBTL1SMN1; SMN2CYP1A2KMT2AMEN1
SCHEMBL5119905 0.80 ALDH1A1 (0.42) L3MBTL1SMN1; SMN2CYP1A2KMT2AMEN1
SCHEMBL5119902 0.80 ALDH1A1 (0.42) L3MBTL1SMN1; SMN2CYP1A2KMT2AMEN1
SCHEMBL14578189 0.80 NR3C1 (0.41) L3MBTL1SMN1; SMN2CYP1A2KMT2AMEN1
SCHEMBL14578089 0.79 LMNA (0.43) L3MBTL1SMN1; SMN2CYP1A2KMT2AMEN1
SCHEMBL9979545 0.79 NR3C1 (0.43) L3MBTL1SMN1; SMN2CYP1A2KMT2AMEN1
SCHEMBL9979550 0.78 ATM (0.55) L3MBTL1SMN1; SMN2CYP1A2KMT2AMEN1
SCHEMBL14578373 0.76 CHRM3 (0.39) L3MBTL1CYP1A2KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305292-B1 BIPHENYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2012-06-20 EP disclosed
US-7176228-B2 Pyrazole biphenylcarboxamides BAYER CROPSCIENCE AG (DE) 2007-02-13 US disclosed
US-7176228-B2 Pyrazole biphenylcarboxamides BAYER CROPSCIENCE AG (DE) 2007-02-13 US disclosed