SCHEMBL10465989

SCHEMBL10465989

O=C(O)c1cnc2c(C(=O)O)cc(C(=O)O)c(C(=O)O)c2c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
KMT2A Q03164 1/20 0.44
GABRP O00591 3/20 0.38
GABRD O14764 3/20 0.38
GABRA1 P14867 3/20 0.38
GABRB1 P18505 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA2 P47869 3/20 0.38
GABRB2 P47870 3/20 0.38
GABRA4 P48169 3/20 0.38
GABRE P78334 3/20 0.38
GABRA6 Q16445 3/20 0.38
GABRG1 Q8N1C3 3/20 0.38
GABRG3 Q99928 3/20 0.38
GABRQ Q9UN88 3/20 0.38
ASPH Q12797 3/20 0.35
KDM8 Q8N371 2/20 0.35

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
SCHEMBL10467327 0.87 KDM4E (0.43) KDM4EKMT2AGABRPGABRDGABRA1
SCHEMBL10466213 0.82 KDM4E (0.46) KDM4EKMT2AGABRPGABRDGABRA1
SCHEMBL10465936 0.81 CYP1A2 (0.48) KDM4EKMT2AGABRPGABRDGABRA1
SCHEMBL10465596 0.78 KDM4E (0.44) KDM4EASPHKDM8CYP1A2KDM6B
SCHEMBL10467539 0.78 KDM4E (0.42) KDM4EKMT2AGABRPGABRDGABRA1
SCHEMBL10465993 0.77 KDM4E (0.41) KDM4EKMT2AGABRPGABRDGABRA1
SCHEMBL10465783 0.77 KDM4E (0.41) KDM4EKMT2AGABRPGABRDGABRA1
SCHEMBL10464541 0.76 KDM4E (0.43) KDM4EKMT2AGABRPGABRDGABRA1
SCHEMBL10466175 0.76 KDM4E (0.43) KDM4EKMT2AGABRPGABRDGABRA1
SCHEMBL338428 0.74 CYP1A2 (0.46) KDM4EKMT2ACYP1A2HPGDALDH1A1

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
US-4968803-A FLUORINE AS OXIDANT ALLIED-SIGNAL INC. (US) 1990-11-06 US disclosed
US-4957934-A AROMATASE INHIBITORS, TREATMENT OF STEROID HORMONE DEPENDENT DISEASES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-09-18 US disclosed