SCHEMBL6560416

SCHEMBL6560416

CCC(C)c1ccnc(C(C)CC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
GAA P10253 3/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
CYP2C9 P11712 2/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL27405514 0.92 ALDH1A1 (0.41) ALDH1A1GAAHPGDUSP2PKM
SCHEMBL13809968 0.90 ALDH1A1 (0.34) ALDH1A1GAAHPGDUSP2PKM
SCHEMBL23564267 0.90 ALDH1A1 (0.34) ALDH1A1GAAHPGDUSP2PKM
SCHEMBL21398692 0.89 USP2 (0.39) ALDH1A1GAAHPGDUSP2PKM
SCHEMBL10496105 0.82 UHRF1 (0.45) ALDH1A1GAAHPGDUSP2PKM
SCHEMBL23376903 0.80 ALDH1A1 (0.41) ALDH1A1GAAHPGDUSP2PKM
SCHEMBL12695310 0.80 RECQL (0.41) ALDH1A1GAAHPGDUSP2PKM
SCHEMBL23376847 0.80 ALDH1A1 (0.41) ALDH1A1GAAHPGDUSP2PKM
SCHEMBL22025156 0.80 ALDH1A1 (0.49) ALDH1A1GAAHPGDUSP2PKM
SCHEMBL23376898 0.80 RECQL (0.41) ALDH1A1GAAHPGDUSP2PKM

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
EP-0891970-B1 Process for producing alkenylsubstituted pyridine derivatives SUMITOMO CHEMICAL CO (JP) 2004-10-13 EP disclosed
US-6008364-A Process for producing alkenyl--substituted pyridine derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-28 US disclosed
EP-0891970-A1 Process for producing alkenylsubstituted pyridine derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-01-20 EP disclosed