SCHEMBL6604677

SCHEMBL6604677

COc1cc2ccccc2c(C(=O)Cl)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.48
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GLA P06280 1/20 0.43
ERN1 O75460 1/20 0.43
TUBB4A P04350 3/20 0.43
TUBB P07437 3/20 0.43
TUBA3C P0DPH7 3/20 0.43
TUBA1B P68363 3/20 0.43
TUBA4A P68366 3/20 0.43
TUBB4B P68371 3/20 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
SCHEMBL10560587 0.88 ALDH1A1 (0.47) CTSDKDM4EALDH1A1HPGDNPSR1
SCHEMBL1671183 0.86 KDM4E (0.58) CTSDKDM4EALDH1A1HPGDNPSR1
SCHEMBL29227828 0.84 CTSD (0.48) CTSDKDM4EALDH1A1HPGDNPSR1
SCHEMBL6602915 0.83 ALDH1A1 (0.46) CTSDKDM4EALDH1A1HPGDNPSR1
SCHEMBL27568346 0.80 KDM4E (0.50) CTSDKDM4EALDH1A1HPGDNPSR1
SCHEMBL4656172 0.80 HPGD (0.43) CTSDKDM4EALDH1A1HPGDNPSR1
SCHEMBL30742709 0.79 MAPT (0.55) CTSDKDM4EALDH1A1HPGDCYP1A2
SCHEMBL3997233 0.79 MAPT (0.55) CTSDKDM4EALDH1A1HPGDCYP1A2
SCHEMBL14134370 0.79 CTSD (0.46) CTSDKDM4EALDH1A1HPGDNPSR1
SCHEMBL7616763 0.76 KDM4E (0.54) CTSDKDM4EALDH1A1HPGDNPSR1

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 5 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
CN-1322196-A Naphthalenecarboxamides as tachykinin receptor antagonists ASTRA ZENECA N N (SE) 2001-11-14 CN 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