SCHEMBL7676089

SCHEMBL7676089

O=c1[nH]ccn1-c1ccc(-n2nccn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CMA1 P23946 2/20 0.34
CHRM1 P11229 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC9A3 P48764 1/20 0.30

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
SCHEMBL7680013 0.79 CYP19A1 (0.43) POLBAPOBEC3GTDP1CCNA2CDK2
SCHEMBL7687393 0.78 KDM4E (0.50) POLBCHRM1KDM5BALDH1A1
SCHEMBL8356079 0.76 POLB (0.61) POLBAPOBEC3GTDP1DDB1CRBN
SCHEMBL7686657 0.75 NOTUM (0.50) POLBAPOBEC3GTDP1CCNA2CDK2
SCHEMBL5906085 0.73 TRPV1 (0.41) POLBAPOBEC3GTDP1DDB1CRBN
SCHEMBL7678192 0.73 HTT (0.47) TDP1CCNA2CDK2CCNA1CMA1
SCHEMBL7401028 0.71 CYP19A1 (0.40) POLBAPOBEC3GTDP1DDB1CRBN
SCHEMBL7686997 0.70 KCNJ1 (0.50) POLBTDP1ALDH1A1HPGD
SCHEMBL8303457 0.69 ELANE (0.43) POLBAPOBEC3GTDP1CCNA2CDK2
SCHEMBL27554560 0.68 NSD2 (0.51) POLBCMA1ALDH1A1HPGD

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
US-6362206-B1 FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-26 US disclosed
US-6034248-A FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed
EP-0809640-A1 AZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-03 EP disclosed
WO-1996025410-A1 AZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-22 WO disclosed