SCHEMBL7494152

SCHEMBL7494152

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.38
PTAFR P25105 1/20 0.38
NOTUM Q6P988 1/20 0.38
GALR3 O60755 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 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
SCHEMBL7495992 0.88 TSHR (0.38) TSHRALDH1A1PTAFRGALR3RAB9A
SCHEMBL7846010 0.80 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL7835036 0.77 CA12 (0.41) ALDH1A1
SCHEMBL9445884 0.67 NOTUM (0.44) TSHRNOTUMKMT2A
SCHEMBL7835032 0.67 CNR1 (0.36)
SCHEMBL11783850 0.66 HSD17B10 (0.58) TSHRALDH1A1NOTUMKMT2A
SCHEMBL4851536 0.65 ALDH1A1 (0.44) TSHRALDH1A1NOTUM
SCHEMBL9445882 0.64 HTR7 (0.42) TSHRALDH1A1NOTUMGALR3RAB9A
SCHEMBL6913393 0.64 ALDH1A1 (0.54) ALDH1A1
SCHEMBL30675636 0.64 NOTUM (0.48) TSHRALDH1A1NOTUMRAB9AKMT2A

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 4 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
EP-0734386-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES Abbott Laboratories (US) 1996-10-02 EP disclosed
US-5486525-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-23 US disclosed
WO-1995016687-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LABORATORIES (US) 1995-06-22 WO disclosed