SCHEMBL14713173

SCHEMBL14713173

Cc1nc(C)c(Cc2ccco2)nc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
PKM P14618 2/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 9/20 0.38
USP2 O75604 6/20 0.38
TSHR P16473 6/20 0.38
KDM4E B2RXH2 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
ALOX15 P16050 4/20 0.37
LMNA P02545 2/20 0.37
HIF1A Q16665 1/20 0.37
HPGD P15428 3/20 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
SCHEMBL8834668 0.72 ALDH1A1 (0.41) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL30195874 0.72 CALM1 (0.46) HSD17B10ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL28979018 0.72 CALM1 (0.46) HSD17B10ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1404275 0.72 CHRM2 (0.46) KMT2AMEN1MAPTALDH1A1USP2
SCHEMBL6770398 0.69 KDM4E (0.55) HSD17B10KMT2AMEN1MAPTALDH1A1
SCHEMBL11092328 0.69 KMT2A (0.36) HSD17B10KMT2AMEN1PKMMAPT
SCHEMBL20692482 0.69 ALDH1A1 (0.47) HSD17B10KMT2AMEN1PKMMAPT
SCHEMBL15934206 0.68 HSD17B10 (0.45) HSD17B10KMT2AMEN1PKMMAPT
SCHEMBL14620894 0.67 ATM (0.53) KMT2APKMMAPTALDH1A1USP2
SCHEMBL28895241 0.66 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383871-B1 Method of hydrogasification of biomass to methane with low depositable tars G4 INSIGHTS INC. (CA) 2013-02-26 US disclosed