SCHEMBL13772009

SCHEMBL13772009

COc1ccc2c(-c3ccccc3C=O)c3ccc(=N)cc-3oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.52
▸ USP2 O75604 2/20 0.50
▸ CFTR P13569 1/20 0.50
▸ PAX8 Q06710 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ GOPC Q9HD26 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ TNKS O95271 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ MAOA P21397 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL19274902 0.88 ALDH1A1 (0.51) ABCB1USP2ATMALDH1A1KDM4E
SCHEMBL13771828 0.83 ALDH1A1 (0.44) ABCB1USP2CFTRPAX8ATM
SCHEMBL3506602 0.83 ABCB1 (0.62) ABCB1USP2CFTRPAX8ATM
SCHEMBL14388301 0.83 ABCB1 (0.49) ABCB1USP2CFTRPAX8ATM
SCHEMBL14527723 0.77 CYP1A2 (0.48) USP2ATMALDH1A1KDM4ENPC1
SCHEMBL19101787 0.76 APP (0.45) ABCB1USP2CFTRATMGOPC
SCHEMBL19269681 0.73 USP2 (0.49) ABCB1USP2CFTRPAX8ATM
SCHEMBL16425654 0.70 ABCB1 (0.58) ABCB1USP2CFTRPAX8ATM
SCHEMBL2790042 0.70 MEN1 (0.68) ABCB1USP2ATMALDH1A1KDM4E
SCHEMBL20714286 0.70 ALDH1A1 (0.51) ABCB1USP2ATMALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009094536-A1 FLUOROGENIC HYDRAZINE-SUBSTITUTED COMPOUNDS Life Technologies Corporation (US) 2009-07-30 — — WO disclosed
Send feedback