SCHEMBL7721163

SCHEMBL7721163

Cc1ccc(Nc2nc3ccccc3n2C(C)C)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.80
ALDH1A1 P00352 4/20 0.65
KMT2A Q03164 2/20 0.65
LMNA P02545 3/20 0.60
GAA P10253 3/20 0.60
POLB P06746 2/20 0.57
TSHR P16473 3/20 0.55
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 1/20 0.53
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
IDH1 O75874 1/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.48
ALOX15 P16050 1/20 0.48
TNKS O95271 1/20 0.48
HTT P42858 1/20 0.48
RPS6KB1 P23443 1/20 0.47
GSK3B P49841 1/20 0.47

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
SCHEMBL20715329 0.89 HSD17B10 (1.00) HSD17B10ALDH1A1KMT2ALMNAGAA
SCHEMBL2724437 0.82 HSD17B10 (0.74) HSD17B10ALDH1A1KMT2ALMNAGAA
SCHEMBL20685325 0.80 HSD17B10 (0.53) HSD17B10ALDH1A1KMT2ALMNAGAA
SCHEMBL2725093 0.80 HSD17B10 (0.67) HSD17B10ALDH1A1KMT2ALMNAGAA
SCHEMBL18263887 0.80 HSD17B10 (0.67) HSD17B10ALDH1A1KMT2ALMNAGAA
SCHEMBL24810100 0.77 HSD17B10 (0.68) HSD17B10ALDH1A1KMT2ALMNAGAA
SCHEMBL2725872 0.74 HSD17B10 (0.57) HSD17B10ALDH1A1KMT2ALMNAGAA
SCHEMBL16671930 0.73 NOD1 (0.70) HSD17B10ALDH1A1KMT2ALMNAGAA
SCHEMBL2854775 0.73 HSD17B10 (0.57) HSD17B10ALDH1A1KMT2ALMNAGAA
SCHEMBL2724128 0.73 HSD17B10 (0.56) HSD17B10ALDH1A1KMT2ALMNAGAA

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-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed