SCHEMBL9159745

SCHEMBL9159745

CC(C)c1cccc2[nH]c(=O)c(-c3nnn[nH]3)c-2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MDM4 O15151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
TYR P14679 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CA5A P35218 1/20 0.37
HTT P42858 1/20 0.37
MDM2 Q00987 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA9 Q16790 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL9153186 0.91 HDAC4 (0.36) HDAC4HDAC8HPGDKDM4EMDM4
SCHEMBL12545623 0.73 RXRA (0.41) HDAC4HDAC8HPGDKDM4EMDM4
SCHEMBL9160543 0.72 MIF (0.37) HPGDKDM4EALDH1A1MAPTALOX12
SCHEMBL19443057 0.71 LMNA (0.37) HPGDALDH1A1TP53MAPTALOX12
SCHEMBL13524580 0.71 RXRA (0.42) HDAC4HDAC8HPGDKDM4EMDM4
SCHEMBL9251207 0.69 P2RX3 (0.37) KDM4EMAPT
SCHEMBL9156137 0.69 KMT2A (0.37) KDM4EALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL9251582 0.69 ADORA3 (0.37) ALDH1A1TP53MDM2SMN1; SMN2
SCHEMBL9253222 0.69 GRIN1 (0.38) KDM4EALDH1A1CYP3A4
SCHEMBL9249902 0.69 KDM4E (0.33) HDAC4HDAC8HPGDKDM4EMDM4

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