SCHEMBL9253222

SCHEMBL9253222

CC(C)c1cccc2n(Cc3ccccn3)c(=O)c(-c3nnn[nH]3)c-2c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
GNRHR P30968 4/20 0.37
NOX4 Q9NPH5 6/20 0.36
GABRA5 P31644 3/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
AGTR1 P30556 2/20 0.34
GABRA1 P14867 1/20 0.34
BRD4 O60885 1/20 0.33
CYBB P04839 1/20 0.33
CYP3A4 P08684 1/20 0.33
NOX1 Q9Y5S8 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
SCHEMBL9160543 0.86 MIF (0.37) GNRHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL9251207 0.82 P2RX3 (0.37) GNRHRKDM4EMEN1KMT2A
SCHEMBL9251582 0.79 ADORA3 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL9156137 0.78 KMT2A (0.37) GNRHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL9248865 0.78 GNRHR (0.41) GRIN1GRIN2BGNRHRNOX4GABRA5
SCHEMBL9158524 0.77 L3MBTL1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL9249911 0.75 CASR (0.35) ALDH1A1KDM4EPKMCYP3A4
SCHEMBL9245510 0.74 P2RX3 (0.40) KDM4E
SCHEMBL9243531 0.71 ADORA3 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL9249902 0.71 KDM4E (0.33) ALDH1A1KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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