SCHEMBL9050346

SCHEMBL9050346

COC(=O)c1ccc(CCCCC(C#N)C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 4/20 0.61
CYP4F2 P78329 3/20 0.61
LOXL2 Q9Y4K0 1/20 0.47
IDH1 O75874 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
CKS1B P61024 1/20 0.44
SKP2 Q13309 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CCR6 P51684 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
MAPT P10636 3/20 0.41

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
SCHEMBL20504197 0.82 CYP4A11 (0.66) CYP4A11CYP4F2LOXL2IDH1ALDH1A1
SCHEMBL9343047 0.82 CYP4A11 (0.53) CYP4A11CYP4F2LOXL2IDH1ALDH1A1
SCHEMBL9343689 0.81 CYP4A11 (0.52) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL8982437 0.79 CYP4A11 (0.54) CYP4A11CYP4F2LOXL2IDH1ALDH1A1
SCHEMBL9039166 0.78 CYP4A11 (0.52) CYP4A11CYP4F2LOXL2IDH1ALDH1A1
SCHEMBL10169575 0.77 CYP4A11 (0.68) CYP4A11CYP4F2LOXL2IDH1ALDH1A1
SCHEMBL10610477 0.77 CYP4A11 (0.75) CYP4A11CYP4F2LOXL2IDH1ALDH1A1
SCHEMBL1628660 0.77 CYP4A11 (1.00) CYP4A11CYP4F2LOXL2IDH1ALDH1A1
SCHEMBL10641751 0.77 CYP4A11 (0.75) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL8044139 0.77 CYP4A11 (0.75) CYP4A11CYP4F2LOXL2ALDH1A1MAPT

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-0314280-B1 Process for the preparation of fused pyridine compounds UNIV PRINCETON (US) 1996-02-21 EP disclosed
US-5473071-A Process for the preparation of fused pyridine compounds TRUSTEES OF PRINCETON UNIVERSITY (US) 1995-12-05 US disclosed
US-4895946-A Process for the preparation of fused pyridine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1990-01-23 US disclosed
EP-0314280-A2 Process for the preparation of fused pyridine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-05-03 EP disclosed