SCHEMBL9305599

SCHEMBL9305599

Cc1cc(C(=O)O)c(C)c(C(=O)O)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
KMT2A Q03164 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 1/20 0.50
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 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
SCHEMBL9259491 0.84 KDM4E (0.55) KDM4EKMT2ATDP1MEN1GABRP
SCHEMBL5530847 0.84 KDM4E (0.55) KDM4EKMT2ATDP1MEN1GABRP
SCHEMBL10660689 0.83 KDM4E (0.48) KDM4EKMT2ATDP1MEN1GABRP
SCHEMBL27570542 0.83 KDM4E (0.59) KDM4EKMT2ATDP1MEN1GABRP
SCHEMBL27882611 0.81 NR4A1 (0.47) KDM4EKMT2ATDP1MEN1HPGD
SCHEMBL6904405 0.81 KDM4E (0.45) KDM4EKMT2ATDP1MEN1GABRP
SCHEMBL28828282 0.81 KDM4E (0.47) KDM4EKMT2ATDP1MEN1GABRP
SCHEMBL31494237 0.80 KDM4E (0.55) KDM4EKMT2ATDP1MEN1GABRP
SCHEMBL2825688 0.80 KDM4E (0.55) KDM4EKMT2ATDP1MEN1GABRP
SCHEMBL5489960 0.80 KDM4E (0.50) KDM4EKMT2ATDP1MEN1GABRP

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-5340808-A Fused pyridazinoquinazolone derivatives as neurotrophic agents WARNER LAMBERT COMPANY (US) 1994-08-23 US disclosed
WO-1994011373-A1 PYRIDAZINOQUINAZOLONE DERIVATIVES AS NEUROTROPHIC AGENTS WARNER-LAMBERT COMPANY (US) 1994-05-26 WO disclosed
US-4251531-A ANTIALLERGENS FARMITALIA CARLO ERBA S.P.A. (IT) 1981-02-17 US disclosed
US-4159330-A ANTIALLERGENS CARLO ERBA S.P.A. (IT) 1979-06-26 US disclosed