SCHEMBL7370306

SCHEMBL7370306

O=C(O)/C=C(\O)c1cccnc1Oc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49
P2RY1 P47900 1/20 0.46
KDR P35968 1/20 0.46
GAA P10253 1/20 0.45
MAPK8 P45983 1/20 0.45

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
SCHEMBL7370310 1.00 KMT2A (0.58) KMT2ATDP1PDE4APDE4BPDE4C
SCHEMBL2779361 0.84 KMT2A (0.65) KMT2ATDP1PDE4APDE4BPDE4C
SCHEMBL7674928 0.84 KMT2A (0.51) KMT2ATDP1PDE4APDE4BPDE4C
SCHEMBL7674926 0.84 KMT2A (0.51) KMT2ATDP1PDE4APDE4BPDE4C
SCHEMBL4165132 0.80 RAB9A (0.74) KMT2ATDP1PDE4APDE4BPDE4C
SCHEMBL29719568 0.80 KMT2A (0.60) KMT2ATDP1PDE4APDE4BPDE4C
SCHEMBL7674701 0.80 KMT2A (0.64) KMT2ATDP1PDE4APDE4BPDE4C
SCHEMBL29125555 0.80 KMT2A (0.60) KMT2ATDP1PDE4APDE4BPDE4C
SCHEMBL7373227 0.78 TDP1 (0.76) KMT2ATDP1PDE4APDE4BPDE4C
SCHEMBL7373331 0.77 KMT2A (0.57) KMT2ATDP1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed