SCHEMBL9256546

SCHEMBL9256546

CCCCCCCCc1c(C)[nH]c(C)c(C#N)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 8/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 1/20 0.43
SLC2A1 P11166 1/20 0.43
KDM4E B2RXH2 6/20 0.41
HPGD P15428 5/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TYMP P19971 3/20 0.41
HSD17B10 Q99714 3/20 0.38
APOBEC3G Q9HC16 2/20 0.38
ALOX15 P16050 1/20 0.38
APAF1 O14727 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
NOD2 Q9HC29 1/20 0.37
GPR84 Q9NQS5 2/20 0.35
THRB P10828 1/20 0.34

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
SCHEMBL9268933 0.76 SLC2A1 (0.47) MAPTALDH1A1SLC2A1KDM4EHPGD
SCHEMBL12988968 0.76 SLC2A1 (0.47) MAPTALDH1A1SLC2A1KDM4EHPGD
SCHEMBL15453643 0.76 SLC2A1 (0.47) MAPTALDH1A1SLC2A1KDM4EHPGD
SCHEMBL9270814 0.75 SLC2A1 (0.46) MAPTALDH1A1SLC2A1KDM4EHPGD
SCHEMBL9269915 0.75 TYMP (0.51) MAPTALDH1A1SLC2A1KDM4EHPGD
SCHEMBL8941878 0.71 UPP1 (0.61) MAPTALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL8958355 0.70 MAPT (0.50) MAPTALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL12990206 0.70 SLC2A1 (0.42) ALDH1A1SLC2A1TYMPGPR84
SCHEMBL1539851 0.70 MAPT (0.67) MAPTALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL12989506 0.70 SLC2A1 (0.42) ALDH1A1SLC2A1TYMPGPR84

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
US-5403934-A Heterocyclic compounds BURROUGHS WELLCOME CO. (US) 1995-04-04 US disclosed
WO-1991013873-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-19 WO disclosed
EP-0447164-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-18 EP disclosed