SCHEMBL9243990

SCHEMBL9243990

CC(C)c1cccc2c(-c3nnn[nH]3)c(=O)n(Cc3ccc(F)cc3)c-2c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.38
P2RX3 P56373 6/20 0.37
KCNH2 Q12809 1/20 0.36
KMT2A Q03164 1/20 0.35
PLK1 P53350 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CLPP Q16740 1/20 0.33

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
SCHEMBL9251207 0.92 P2RX3 (0.37) GNRHRP2RX3KCNH2KMT2APLK1
SCHEMBL9245510 0.91 P2RX3 (0.40) P2RX3TDO2
SCHEMBL9156137 0.91 KMT2A (0.37) GNRHRKMT2A
SCHEMBL9249926 0.83 PLK1 (0.41) GNRHRKMT2APLK1IDO1TDO2
SCHEMBL9254275 0.83 P2RX3 (0.40) P2RX3
SCHEMBL9160543 0.83 MIF (0.37) GNRHRKMT2ACNR1
SCHEMBL9243531 0.80 ADORA3 (0.37) KMT2APLK1
SCHEMBL9158679 0.78 TDP1 (0.37) PLK1
SCHEMBL9249959 0.76 KDM4E (0.52) GNRHRP2RX3KCNH2KMT2ACNR1
SCHEMBL9157717 0.75 ALDH1A1 (0.37) KMT2A

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-0376223-A2 Azaazulene derivative, process for preparing the same, and antiallergic agent and antiinflammatory agent containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1990-07-04 EP claimed
US-RE34918-E Antihistamines, muscle relaxants KAKEN PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
US-5013736-A 5-lipoxygenase inhibitors, smooth muscle relaxants KAKEN PHARMACEUTICAL CO., LTD. (JP) 1991-05-07 US disclosed
EP-0376223-A2 Azaazulene derivative, process for preparing the same, and antiallergic agent and antiinflammatory agent containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1990-07-04 EP disclosed