SCHEMBL9158144

SCHEMBL9158144

Cn1c2cccccc-2c(C#N)c1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ KDM4E B2RXH2 10/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ LMNA P02545 4/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ GRM2 Q14416 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ POLB P06746 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ GAA P10253 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GRIA2 P42262 1/20 0.37
▸ GRIA4 P48058 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
SCHEMBL30662020 0.80 ALDH1A1 (0.68) ALDH1A1L3MBTL1KDM4ESMN1; SMN2LMNA
SCHEMBL14288834 0.77 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4ESMN1; SMN2LMNA
SCHEMBL9157389 0.75 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2MAPK1GRM2
SCHEMBL30662029 0.74 ALDH1A1 (0.59) ALDH1A1L3MBTL1KDM4ESMN1; SMN2LMNA
SCHEMBL30662024 0.74 ALDH1A1 (0.59) ALDH1A1L3MBTL1KDM4ESMN1; SMN2LMNA
SCHEMBL30662023 0.74 ALDH1A1 (0.59) ALDH1A1L3MBTL1KDM4ESMN1; SMN2LMNA
SCHEMBL30662018 0.74 ALDH1A1 (0.59) ALDH1A1L3MBTL1KDM4ESMN1; SMN2LMNA
SCHEMBL11462985 0.73 ALDH1A1 (0.59) ALDH1A1L3MBTL1KDM4ESMN1; SMN2LMNA
SCHEMBL11275890 0.73 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL30662022 0.73 ALDH1A1 (0.57) ALDH1A1L3MBTL1KDM4ESMN1; SMN2LMNA

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
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