SCHEMBL6162175

SCHEMBL6162175

O=C(c1cc(-c2ccccc2F)nc2c(Cl)cccc12)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.52
TRPV1 Q8NER1 3/20 0.52
USP2 O75604 1/20 0.51
MAPK1 P28482 1/20 0.51
MOK Q9UQ07 3/20 0.50
PLAUR Q03405 1/20 0.50
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL6162317 0.83 POLB (0.74) POLBMEN1KMT2ATRPV1MOK
SCHEMBL6162171 0.80 POLB (0.58) POLBMEN1KMT2AALDH1A1USP2
SCHEMBL6163628 0.78 POLB (0.74) POLBMEN1KMT2ATRPV1KDM4E
SCHEMBL10761683 0.77 POLB (0.73) POLBMEN1KMT2AKDM4EHTT
SCHEMBL6167121 0.76 TRPV1 (0.57) POLBKMT2ATRPV1MOKPLAUR
SCHEMBL6163447 0.76 TRPV1 (0.54) POLBKMT2ATRPV1MOKPLAUR
SCHEMBL6165849 0.73 POLB (0.67) POLBMEN1KMT2AMOKKDM4E
SCHEMBL6164179 0.73 POLB (0.67) POLBMEN1KMT2AMOKKDM4E
SCHEMBL6164135 0.73 TRPV1 (0.52) POLBTRPV1PLAURHPGDCYP2C9
SCHEMBL6164125 0.72 POLB (0.65) POLBMEN1KMT2AMOKKDM4E

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-1337523-B1 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORP (US) 2005-10-19 EP claimed