SCHEMBL7364110

SCHEMBL7364110

COc1ccc(CCCc2cccnc2Oc2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CALM1 P0DP23 1/20 0.42
ESR1 P03372 1/20 0.42
CYP19A1 P11511 1/20 0.42
ESR2 Q92731 1/20 0.42
SLC2A4 P14672 2/20 0.41
SLC2A8 Q9NY64 1/20 0.41
TRPA1 O75762 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL7374722 0.79 KDM4E (0.44) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL14282018 0.78 MAPK8 (0.47) MEN1KMT2ACYP1A2L3MBTL1CYP2C9
SCHEMBL7400057 0.77 KMT2A (0.49) KMT2AMAPK8
SCHEMBL10289956 0.77 KMT2A (0.55) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL16057844 0.76 SMN1; SMN2 (0.46) CALM1
SCHEMBL16057847 0.75 LMNA (0.45)
SCHEMBL2893836 0.74 KMT2A (0.72) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL29125554 0.74 KMT2A (0.51) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL7454212 0.73 CYP1A2 (0.46) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL7454201 0.73 CYP1A2 (0.46) MEN1KMT2AKDM4ECYP1A2CYP3A4

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