SCHEMBL7017694

SCHEMBL7017694

CN(CCOCc1cccc(CBr)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL25277162 0.84 ALDH1A1 (0.50) NPC1RAB9ACA12CA9ALDH1A1
SCHEMBL7018101 0.83 L3MBTL1 (0.46) ALDH1A1LMNAHTT
SCHEMBL7030911 0.83 MMP3 (0.40) MEN1KMT2ACA12CA9KDM4E
SCHEMBL7026061 0.82 ACHE (0.50) ALDH1A1LMNAHTTATM
SCHEMBL7026540 0.79 KMT2A (0.56) MEN1KMT2ANPC1RAB9ACA12
SCHEMBL7024816 0.74 SMN1; SMN2 (0.49) LMNAHTT
SCHEMBL23420055 0.70 L3MBTL1 (0.46) KDM4EALDH1A1LMNA
SCHEMBL18949771 0.70 ALDH1A1 (0.39) ALDH1A1HPGD
SCHEMBL13308081 0.69 TSHR (0.48) ALDH1A1
SCHEMBL990642 0.69 ALDH1A1 (0.61) RAB9AKDM4EALDH1A1

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-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed