SCHEMBL6169631

SCHEMBL6169631

COC(=O)/C=C/c1cc(C(C)=O)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.46
▸ PRKCI P41743 1/20 0.44
▸ TTR P02766 1/20 0.42
▸ APP P05067 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ TYR P14679 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
SCHEMBL5392736 0.88 ALDH1A1 (0.51) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL6024797 0.88 ALDH1A1 (0.48) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL5392742 0.88 ALDH1A1 (0.51) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL6036480 0.88 ALDH1A1 (0.48) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL3725269 0.84 CREBBP (0.48) MAPTALDH1A1KDM4EHPGDCYP1A2
SCHEMBL3725267 0.84 CREBBP (0.48) MAPTALDH1A1KDM4EHPGDCYP1A2
SCHEMBL6169905 0.81 ALDH1A1 (0.50) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL6169288 0.81 ALDH1A1 (0.50) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL6169914 0.81 ALDH1A1 (0.50) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL6169292 0.81 ALDH1A1 (0.50) MAPTALDH1A1KMT2AKDM4EMEN1

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 2 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
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