SCHEMBL7401972

SCHEMBL7401972

COc1ccc(CC(O)C(O)c2cccnc2Oc2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE10A Q9Y233 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDE4A P27815 1/20 0.38

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
SCHEMBL7367521 0.90 KMT2A (0.43) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL7374722 0.82 KDM4E (0.44) CYP1A2CYP3A4CYP2D6KDM4EMEN1
SCHEMBL7364110 0.71 MEN1 (0.47) CYP1A2CYP3A4CYP2D6KDM4EMEN1
SCHEMBL7400057 0.71 KMT2A (0.49) KMT2ALMNAHPGDSMN1; SMN2PDE4A
SCHEMBL7454212 0.70 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6KDM4EMEN1
SCHEMBL7454201 0.70 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6KDM4EMEN1
SCHEMBL7371446 0.70 LMNA (0.72) KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL28620628 0.67 CYP2D6 (0.58) CYP1A2CYP2D6CYP2C19
SCHEMBL7366596 0.67 P2RY1 (0.39) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL7367980 0.66 KMT2A (0.54) KMT2APDE10APDE4APDE4BPDE4C

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