SCHEMBL2371983

SCHEMBL2371983

Nc1cnc(-c2ccco2)c(C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
HSD17B10 Q99714 4/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 3/20 0.46
PKM P14618 3/20 0.46
ALOX15 P16050 3/20 0.46
CASP1 P29466 3/20 0.46
BLM P54132 3/20 0.46
CASP7 P55210 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
PTPN7 P35236 2/20 0.46
RECQL P46063 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 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
SCHEMBL11371593 0.74 MET (0.48) MAPTHSD17B10ALDH1A1POLBTDP1
SCHEMBL3063409 0.73 MAPT (0.50) MAPTHSD17B10MEN1ALDH1A1POLB
SCHEMBL3063475 0.72 ADORA2B (0.58) MAPTHSD17B10MEN1ALDH1A1POLB
SCHEMBL29699319 0.71 CFTR (0.50) MAPTHSD17B10MEN1ALDH1A1POLB
SCHEMBL2371359 0.71 CFTR (0.50) MAPTHSD17B10MEN1ALDH1A1POLB
SCHEMBL3063750 0.70 ALDH1A1 (0.46) MAPTHSD17B10MEN1ALDH1A1POLB
SCHEMBL3058599 0.69 ADORA2B (0.57) MAPTHSD17B10MEN1ALDH1A1POLB
SCHEMBL3066367 0.68 KDM4E (0.46) MAPTHSD17B10MEN1ALDH1A1POLB
SCHEMBL3073764 0.68 PLAU (0.44) MAPTHSD17B10MEN1ALDH1A1POLB
SCHEMBL3058552 0.67 ALDH1A1 (0.51) MAPTHSD17B10MEN1ALDH1A1POLB

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-2011113894-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF NOVARTIS AG (CH) 2011-09-22 WO disclosed