SCHEMBL3349059

SCHEMBL3349059

Cc1cc(O)c2c(C)c(Cc3cccc(Cl)c3)c(=O)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX5 P09917 4/20 0.41
ALKBH3 Q96Q83 1/20 0.40
PDE5A O76074 1/20 0.40
DAO P14920 2/20 0.40
PTGES O14684 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 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
SCHEMBL14246830 0.91 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTPDE3B
SCHEMBL3349053 0.87 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTPDE3B
SCHEMBL3345086 0.85 ALKBH3 (0.42) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3344710 0.81 KDM4E (0.48) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL15931670 0.81 KDM4E (0.47) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3344690 0.80 SMN1; SMN2 (0.49) ALDH1A1PDE3BPDE3AKDM4ESMN1; SMN2
SCHEMBL3350433 0.80 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3345122 0.77 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTPDE3B
SCHEMBL5328637 0.77 KDM4E (0.62) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL6584194 0.77 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTKDM4E

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-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO disclosed