SCHEMBL9804071

SCHEMBL9804071

C1=COc2c(ccc3ccccc23)[N]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
CYP2A6 P11509 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPRT1 P00492 1/20 0.37
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 2/20 0.33
HPGD P15428 2/20 0.33
KEAP1 Q14145 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 2/20 0.31
PTPN22 Q9Y2R2 1/20 0.31
PAX8 Q06710 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL9389252 0.68 HSD17B10 (0.46) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL2996567 0.67 ALDH1A1 (0.44) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL9479424 0.64 HSD17B10 (0.41) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL14803714 0.62 ALDH1A1 (0.38) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL890970 0.62 HSD17B10 (0.42) HSD17B10ALDH1A1TSHRCYP2A6TDP1
Phenanthrene SCHEMBL29358486 0.61 CYP2A6 (1.00) HSD17B10ALDH1A1TSHRCYP2A6TDP1
Phenanthrene SCHEMBL30932938 0.61 CYP2A6 (1.00) HSD17B10ALDH1A1TSHRCYP2A6TDP1
Phenanthrene SCHEMBL7643 0.61 CYP2A6 (1.00) HSD17B10ALDH1A1TSHRCYP2A6TDP1
Phenanthrene SCHEMBL29477074 0.61 CYP2A6 (1.00) HSD17B10ALDH1A1TSHRCYP2A6TDP1
Phenanthrene SCHEMBL8873977 0.61 CYP2A6 (1.00) HSD17B10ALDH1A1TSHRCYP2A6TDP1

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-5026848-A Antirhinovirus agents SYNPHAR LABORATORIES INCORPORATED (CA) 1991-06-25 US claimed
EP-0335636-A1 Antiviral compounds SYNPHAR LABORATORIES INC. (CA) 1989-10-04 EP claimed
US-5026848-A Antirhinovirus agents SYNPHAR LABORATORIES INCORPORATED (CA) 1991-06-25 US disclosed