SCHEMBL7495992

SCHEMBL7495992

CN(C)C(=O)n1cc(C(=O)Cl)c2c(C#N)cccc21

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.37
PTAFR P25105 1/20 0.37
GALR3 O60755 1/20 0.37
RAB9A P51151 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
SCHEMBL7494152 0.88 TSHR (0.39) TSHRALDH1A1PTAFRGALR3RAB9A
Hydrochloric Acid SCHEMBL7503056 0.71
SCHEMBL23909527 0.67 CA1 (0.41) ALDH1A1
SCHEMBL11446278 0.65 TSHR (0.41) TSHRALDH1A1
SCHEMBL1340299 0.63 ALDH1A1 (0.48) TSHRALDH1A1
Hydrochloric Acid SCHEMBL28252892 0.62 ALDH1A1 (0.47) TSHRALDH1A1
SCHEMBL23909606 0.62 CA1 (0.42) ALDH1A1
SCHEMBL26932757 0.61 L3MBTL1 (0.40)
SCHEMBL18030917 0.60 IMPDH2 (0.46) TSHRALDH1A1
SCHEMBL21076112 0.60 AR (0.38) TSHRALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734386-B1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LAB (US) 2002-02-06 EP disclosed
US-5486525-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-23 US disclosed