SCHEMBL6136526

SCHEMBL6136526

CC(=O)Nc1ccc(CC(O)OS(=O)(=O)c2ccc(C)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 3/20 0.40
PTK2 Q05397 1/20 0.39
ENPP1 P22413 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6136518 1.00 RAB9A (0.45) RAB9ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL5689580 0.76 RAB9A (0.45) RAB9ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL5689585 0.76 RAB9A (0.45) RAB9ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6136724 0.76 RAB9A (0.45) RAB9ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL8425155 0.75 PTK2 (0.54) RAB9AKDM4EKMT2APTK2CYP1A2
SCHEMBL6934702 0.73 GAA (0.48) ALDH1A1LMNAKMT2ACYP1A2GAA
SCHEMBL31267199 0.69 HSD17B10 (0.51) KDM4EKMT2APTK2CYP1A2GAA
SCHEMBL31267203 0.69 HSD17B10 (0.51) KDM4EKMT2APTK2CYP1A2GAA
SCHEMBL423961 0.69 RAB9A (0.75) RAB9ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL29806032 0.68 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2KDM4EALDH1A1LMNA

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
EP-0994105-B1 2-amino-pyridine intermediates for beta3-Adrenergic receptor agonists PFIZER PROD INC (US) 2005-12-14 EP disclosed