SCHEMBL6604960

SCHEMBL6604960

COc1c(C(=O)O)cc2ccccc2c1I

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 4/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 3/20 0.53
CDC25B P30305 3/20 0.51
GPR35 Q9HC97 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP2D6 P10635 1/20 0.44
ERN1 O75460 1/20 0.44
PTPN1 P18031 1/20 0.43

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
SCHEMBL6604957 0.89 KDM4E (0.54) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL6234692 0.88 KDM4E (0.73) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL27377431 0.85 GPR35 (0.47) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL10584881 0.83 KDM4E (0.77) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL25295170 0.81 HPGD (0.55) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL3117234 0.81 HPGD (0.55) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL2780177 0.81 KDM4E (0.58) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL6441116 0.79 GPR35 (0.65) KDM4EALDH1A1HPGDNPSR1HSD17B10
Hydrochloric Acid SCHEMBL11588894 0.78 GPR35 (0.63) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL569680 0.78 POLB (0.63) KDM4EALDH1A1HPGDHSD17B10CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed