SCHEMBL7367173

SCHEMBL7367173

COc1cccc(Oc2ncccc2C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
HPGD P15428 2/20 0.60
MAPK8 P45983 3/20 0.59
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA5B Q9Y2D0 1/20 0.52

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
SCHEMBL7369360 0.89 MAPK8 (0.57) KMT2AHPGDMAPK8LMNASMN1; SMN2
SCHEMBL7368824 0.86 MAPK8 (0.64) KMT2AHPGDMAPK8LMNASMN1; SMN2
SCHEMBL7370567 0.86 MAPK8 (0.56) KMT2AHPGDMAPK8LMNASMN1; SMN2
SCHEMBL7366732 0.83 HPGD (0.61) KMT2AHPGDMAPK8LMNASMN1; SMN2
SCHEMBL7371159 0.83 MAPK8 (0.62) KMT2AHPGDMAPK8LMNASMN1; SMN2
SCHEMBL7364427 0.82 MAPK8 (0.52) KMT2AHPGDMAPK8LMNACA2
SCHEMBL5394111 0.81 MAPK8 (0.60) KMT2AHPGDMAPK8LMNASMN1; SMN2
SCHEMBL5453356 0.81 MAPK8 (0.60) KMT2AHPGDMAPK8LMNASMN1; SMN2
SCHEMBL8756555 0.81 MAPK8 (0.78) KMT2AHPGDMAPK8ALDH1A1KDM4E
SCHEMBL14193488 0.80 MAPK8 (0.82) KMT2AHPGDMAPK8LMNASMN1; 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