SCHEMBL9070566

SCHEMBL9070566

O=c1[nH]c(-c2ccccc2)nc2c1CCC2

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.63
TNKS2 Q9H2K2 3/20 0.63
PARP1 P09874 3/20 0.63
WNT3A P56704 1/20 0.63
HPGD P15428 4/20 0.61
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
TSHR P16473 1/20 0.61
HSD17B10 Q99714 1/20 0.61
SPR P35270 4/20 0.56
KMT2A Q03164 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
PKM P14618 1/20 0.55
MTHFD2 P13995 3/20 0.52
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL1032502 0.97 TNKS2 (0.68) TNKSTNKS2PARP1WNT3AHPGD
SCHEMBL1033822 0.90 TNKS2 (0.55) TNKSTNKS2PARP1WNT3AHPGD
SCHEMBL15661448 0.83 HPGD (0.54) TNKSTNKS2PARP1WNT3AHPGD
SCHEMBL18689656 0.82 SPR (0.70) TNKSTNKS2PARP1WNT3AHPGD
SCHEMBL1035001 0.81 TNKS2 (0.68) TNKSTNKS2PARP1WNT3AHPGD
SCHEMBL17476968 0.81 TNKS2 (0.69) TNKSTNKS2PARP1WNT3AHPGD
SCHEMBL14107495 0.80 HTR2C (0.49) TNKSTNKS2PARP1WNT3AHPGD
SCHEMBL14344503 0.80 MTHFD2 (0.49) TNKSTNKS2PARP1WNT3AHPGD
SCHEMBL15660095 0.80 LMNA (0.57) TNKSTNKS2PARP1WNT3AHPGD
SCHEMBL7782092 0.79 KMT2A (0.54) TNKSTNKS2PARP1WNT3AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696588-A1 2-Arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1996-02-14 EP disclosed
US-5451565-A 2-aryl-5,6-ring-fused pyrimidines and herbicidal use ROHM AND HAAS COMPANY (US) 1995-09-19 US disclosed
US-5378678-A 2-aryl-5,6-ring-fused pyrimidines and herbicidal use ROHM AND HAAS COMPANY (US) 1995-01-03 US disclosed
EP-0579424-A1 2-substituted pyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1994-01-19 EP disclosed