SCHEMBL7365941

SCHEMBL7365941

O=C(NCc1ccco1)c1cccnc1Oc1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 2/20 0.60
LMNA P02545 2/20 0.60
MAPK8 P45983 2/20 0.57
MAPT P10636 2/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SGMS2 Q8NHU3 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL7371294 0.85 ALDH1A1 (0.60) HPGDSMN1; SMN2ALDH1A1LMNAMAPK8
SCHEMBL7317640 0.84 MAPK8 (0.75) HPGDSMN1; SMN2LMNAMAPK8KMT2A
SCHEMBL2484887 0.84
SCHEMBL7366928 0.83 MAPK8 (0.55) MAPK8POLBKMT2A
SCHEMBL7375869 0.81 PDE4A (0.61) HPGDMAPK8KMT2AGAA
SCHEMBL7365751 0.81 MAPK8 (0.67) MAPK8KMT2A
SCHEMBL7369712 0.80 MAPK8 (0.59) MAPK8KMT2AGAA
SCHEMBL7168843 0.80 MAPK8 (0.72) MAPK8KMT2AGAA
SCHEMBL7371983 0.80 MAPK8 (0.69) HPGDSMN1; SMN2LMNAMAPK8KMT2A
SCHEMBL23412428 0.80 HPGD (0.72) HPGDSMN1; SMN2ALDH1A1LMNAMAPT

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