SCHEMBL7366037

SCHEMBL7366037

CC(=O)Nc1cccc(Oc2ncccc2C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
TDP1 Q9NUW8 1/20 0.53
PKM P14618 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
KDR P35968 2/20 0.52
NR2E3 Q9Y5X4 1/20 0.51
ALDH1A1 P00352 4/20 0.50
HPGD P15428 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
F10 P00742 1/20 0.47

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
SCHEMBL7374239 0.85 KMT2A (0.60) KMT2AMEN1TDP1HTTKDR
SCHEMBL7374880 0.83 MEN1 (0.63) KMT2AMEN1TDP1ALDH1A1F10
SCHEMBL6457966 0.80 TDP1 (0.56) KMT2AMEN1TDP1PKMMAPK1
SCHEMBL7374241 0.80 TDP1 (0.59) KMT2AMEN1TDP1PKMMAPK1
SCHEMBL5753134 0.80 MAPK1 (0.57) KMT2AMEN1TDP1MAPK1HTT
SCHEMBL7364675 0.79 TDP1 (0.65) KMT2AMEN1TDP1PKMMAPK1
SCHEMBL7373168 0.78 MAPK8 (0.73) KMT2AMEN1TDP1ALDH1A1POLB
SCHEMBL861902 0.78 TDP1 (0.71) KMT2AMEN1TDP1ALDH1A1POLB
SCHEMBL2332693 0.78 ALDH1A1 (0.61) TDP1ALDH1A1POLBGAARAB9A
SCHEMBL7313745 0.78 KMT2A (0.54) KMT2AMEN1TDP1ALDH1A1POLB

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