SCHEMBL7370868

SCHEMBL7370868

CC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.58
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
P2RY1 P47900 1/20 0.52
HPGD P15428 2/20 0.49
HDAC6 Q9UBN7 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL7370502 0.94 MAPK8 (0.62) MAPK8KMT2AKDM4EMEN1CYP1A2
SCHEMBL7677451 0.90 MAPK8 (0.57) MAPK8KMT2AHPGDLMNASMN1; SMN2
SCHEMBL7403963 0.90 MAPK8 (0.59) MAPK8KMT2AKDM4EMEN1CYP1A2
SCHEMBL7373017 0.89 MAPK8 (0.60) MAPK8KMT2AHPGDLMNASMN1; SMN2
SCHEMBL7366732 0.89 HPGD (0.61) MAPK8KMT2AMEN1HPGDLMNA
SCHEMBL7373774 0.88 MAPK8 (0.62) MAPK8KMT2AKDM4EMEN1CYP1A2
SCHEMBL7370229 0.88 MAPK8 (0.55) MAPK8KMT2AHPGDHDAC6LMNA
SCHEMBL7405957 0.87 MAPK8 (0.54) MAPK8KMT2AHPGDHDAC6LMNA
SCHEMBL7372559 0.87 MAPK8 (0.58) MAPK8KMT2AMEN1HPGDLMNA
SCHEMBL7399781 0.86 MAPK8 (0.57) MAPK8KMT2AHPGDLMNASMN1; SMN2

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