SCHEMBL7313745

SCHEMBL7313745

O=C(O)c1cccnc1Oc1cccc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 2/20 0.51
NAPRT Q6XQN6 1/20 0.49
P2RY1 P47900 2/20 0.48
MAPK8 P45983 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER2 P43116 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
SCHEMBL7363608 0.88 KMT2A (0.53) KMT2ATDP1KDM4ENPSR1ALDH1A1
SCHEMBL5518685 0.87 RAB9A (0.60) KMT2ATDP1KDM4EMEN1CYP1A2
SCHEMBL2779361 0.84 KMT2A (0.65) KMT2ATDP1ALDH1A1NAPRTMAPK8
SCHEMBL861902 0.83 TDP1 (0.71) KMT2ATDP1KDM4EMEN1NPSR1
SCHEMBL10970875 0.83 TDP1 (0.52) KMT2ATDP1MEN1CYP1A2CYP2C19
SCHEMBL8476272 0.83 ALDH1A1 (0.55) KMT2ATDP1KDM4EMEN1ALDH1A1
SCHEMBL6460814 0.83 CARM1 (0.52) KMT2ATDP1KDM4EMEN1CYP1A2
SCHEMBL2332693 0.83 ALDH1A1 (0.61) TDP1ALDH1A1P2RY1MAPK8POLB
SCHEMBL7374241 0.83 TDP1 (0.59) KMT2ATDP1KDM4EMEN1NPSR1
SCHEMBL4448289 0.83 PTGER4 (0.51) KMT2AKDM4EMEN1CYP1A2CYP2C19

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 8 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
EP-0357316-B1 ANTIDEPRESSANT N-SUBSTITUTED NICOTINAMIDE COMPOUNDS PFIZER INC. (US) 1993-04-14 EP disclosed
EP-0357316-A1 Antidepressant N-substituted nicotinamide compounds PFIZER INC. (US) 1990-03-07 EP disclosed
US-4861891-A Antidepressant N-substituted nicotinamide compounds PFIZER INC. (US) 1989-08-29 US disclosed
EP-0053011-B1 NEW HERBICIDAL NICOTINAMIDE DERIVATIVES MAY & BAKER LIMITED (GB) 1985-04-03 EP disclosed
EP-0053011-A1 New herbicidal nicotinamide derivatives MAY & BAKER LIMITED (GB) 1982-06-02 EP disclosed