SCHEMBL8562829

SCHEMBL8562829

CCCC(=O)c1cnc2nc(C)c(OCC)cc2c1O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DPP4 P27487 2/20 0.37
FASN P49327 1/20 0.36
HMGCR P04035 1/20 0.36

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
SCHEMBL8324245 0.87 TSHR (0.42) ALDH1A1HPGDTSHRHSD17B10DPP4
SCHEMBL8322260 0.86 DPP4 (0.48) TSHRDPP4
SCHEMBL8328855 0.86 DPP4 (0.40) TSHRDPP4
SCHEMBL8324234 0.80 DPP4 (0.51) TSHRHSD17B10DPP4
SCHEMBL27446746 0.80 TP53 (0.41) ALDH1A1HPGDTSHRHSD17B10DPP4
SCHEMBL8565727 0.79 KDM4E (0.33) ALDH1A1HPGDALOX15TSHRHSD17B10
SCHEMBL8559490 0.78 CSF1R (0.48)
Hydrochloric Acid SCHEMBL8565607 0.77 CSF1R (0.48)
SCHEMBL8326372 0.77 TSHR (0.40) ALDH1A1HPGDTSHRHSD17B10DPP4
SCHEMBL8561182 0.77 HSD17B10 (0.36) ALDH1A1HPGDTSHRHSD17B10TDP1

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-0618916-B1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES KNOLL AG (DE) 1998-09-23 EP disclosed
US-5464781-A TREATING RHEUMATIC DISEASES THE BOOTS COMPANY PLC (GB) 1995-11-07 US disclosed
EP-0618916-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES Knoll AG (DE) 1994-10-12 EP disclosed
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed