SCHEMBL9159128

SCHEMBL9159128

CC(C)c1cccc2c(C#N)c(=O)[nH]c-2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 10/20 0.49
BIRC5 O15392 2/20 0.49
ATM Q13315 1/20 0.49
KDM4E B2RXH2 6/20 0.45
GAA P10253 4/20 0.44
GLA P06280 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL9153226 0.88 ATM (0.49) PIM1BIRC5ATMKDM4EGAA
SCHEMBL9156941 0.74 ATM (0.65) PIM1BIRC5ATMKDM4EGAA
SCHEMBL19002277 0.73 ACMSD (0.44) ATMKDM4EGAAALDH1A1KMT2A
SCHEMBL9153186 0.68 HDAC4 (0.36) KDM4EALDH1A1HPGDMAPT
SCHEMBL14288834 0.67 ALDH1A1 (0.43) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL26997544 0.66 CTSA (0.49) ALDH1A1HPGD
SCHEMBL11560283 0.65 PDE9A (0.41) PIM1BIRC5ATMKDM4EGAA
SCHEMBL9161881 0.65 L3MBTL1 (0.44) KDM4EGAAALDH1A1KMT2AMEN1
SCHEMBL104898 0.64 GLA (0.46) KDM4EGLAALDH1A1HPGDMAPT
Water SCHEMBL9322811 0.64 HDAC4 (0.54) KDM4EGAAALDH1A1HPGDMAPT

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