SCHEMBL9804069

SCHEMBL9804069

O=C1COc2c(ccc3ccccc23)[N]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.38
PAX8 Q06710 1/20 0.37
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP2A6 P11509 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 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
SCHEMBL86747 0.71 CYP19A1 (0.54) CYP19A1PAX8HSD17B10ALDH1A1TSHR
SCHEMBL341904 0.68 KDM4E (0.47) ALDH1A1TSHRKDM4ECYP1A2MAPT
SCHEMBL9804048 0.66 POLB (0.36) CYP19A1PAX8HSD17B10ALDH1A1TSHR
SCHEMBL29962771 0.66 KDM4E (0.50) CYP19A1PAX8HSD17B10ALDH1A1TSHR
SCHEMBL18533243 0.64 CYP19A1 (0.40) CYP19A1HSD17B10ALDH1A1TSHRTDP1
SCHEMBL6453627 0.63 MAOA (0.46) CYP19A1HSD17B10ALDH1A1TSHRTDP1
SCHEMBL21591513 0.62 CA12 (0.39) CYP19A1HSD17B10ALDH1A1TSHRTDP1
SCHEMBL7531559 0.62 DNMT1 (0.40) CYP19A1PAX8HSD17B10ALDH1A1TSHR
SCHEMBL8641190 0.62 ALOX5 (0.53) CYP19A1PAX8HSD17B10ALDH1A1TSHR
SCHEMBL9495807 0.62 ALOX5 (0.45) CYP19A1PAX8HSD17B10ALDH1A1TSHR

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-5026848-A Antirhinovirus agents SYNPHAR LABORATORIES INCORPORATED (CA) 1991-06-25 US disclosed