SCHEMBL7363608

SCHEMBL7363608

O=C(O)c1cccnc1Oc1cc(F)cc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
NAPRT Q6XQN6 1/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 1/20 0.47
PDE10A Q9Y233 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK8 P45983 1/20 0.46
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
AGER Q15109 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DHODH Q02127 1/20 0.44
P2RY1 P47900 1/20 0.44

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
SCHEMBL7313745 0.88 KMT2A (0.54) KMT2ANAPRTTDP1ALDH1A1KDM4E
SCHEMBL2779361 0.86 KMT2A (0.65) KMT2ANAPRTTDP1ALDH1A1RAB9A
SCHEMBL6460814 0.82 CARM1 (0.52) KMT2ANAPRTTDP1ALDH1A1RAB9A
SCHEMBL861902 0.82 TDP1 (0.71) KMT2ATDP1ALDH1A1RAB9APDE10A
SCHEMBL7372704 0.81 NPC1 (0.54) KMT2ATDP1ALDH1A1RAB9ATSHR
SCHEMBL2336921 0.79 RAB9A (0.54) KMT2ANAPRTTDP1ALDH1A1RAB9A
SCHEMBL2783268 0.78 POLB (0.60) KMT2ANAPRTMAPK8MAPTP2RY1
SCHEMBL11810048 0.78 PDE10A (0.60) KMT2ATDP1ALDH1A1RAB9APDE10A
SCHEMBL6063382 0.78 PTGER4 (0.48) KMT2AKDM4E
SCHEMBL2785360 0.78 TDP1 (0.54) KMT2ATDP1ALDH1A1RAB9APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
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