SCHEMBL7373604

SCHEMBL7373604

CCOC(=O)c1cccnc1Oc1cccc(SC)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 5/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
F10 P00742 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL5752212 0.87 TDP1 (0.67) TDP1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5745815 0.84 TDP1 (0.52) TDP1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL8321152 0.84 TDP1 (0.49) TDP1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3454297 0.83 CYP1A2 (0.62) TDP1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7370199 0.83 TDP1 (0.52) TDP1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5693370 0.83 NPSR1 (0.50) TDP1ALDH1A1SMN1; SMN2L3MBTL1F10
SCHEMBL5755198 0.83 RAB9A (0.56) TDP1ALDH1A1NPC1RAB9AF10
SCHEMBL20831533 0.82 TDP1 (0.72) TDP1ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL7367524 0.82 ALDH1A1 (0.59) TDP1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7366824 0.81 TDP1 (0.50) TDP1ALDH1A1NPC1RAB9ASMN1; 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