SCHEMBL6170617

SCHEMBL6170617

CCOC(=O)Nc1cc(Cl)ccc1C=CC(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6170611 1.00 MAPT (0.46) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL8121188 0.89 KMT2A (0.47) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL8121187 0.89 KMT2A (0.47) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3158762 0.82 MAPT (0.41) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3158771 0.82 MAPT (0.41) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL6171400 0.79 MAPT (0.50) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6171393 0.79 MAPT (0.50) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8127731 0.79 CYP1A2 (0.50) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3787132 0.78 CYP1A2 (0.73) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL9377733 0.77 MEN1 (0.43) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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
EP-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP disclosed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed
CN-1284064-A 2,3-substituted indole compounds as cox-2 inhibitors PFIZER PHARMA (US) 2001-02-14 CN disclosed