SCHEMBL7367540

SCHEMBL7367540

O=C(C=Cc1cccnc1F)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.55
MAPT P10636 6/20 0.51
LMNA P02545 5/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
BCHE P06276 2/20 0.51
CYP1B1 Q16678 5/20 0.50
MAOB P27338 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
PLIN1 O60240 1/20 0.50
TNFRSF1A P19438 1/20 0.50
ACHE P22303 1/20 0.50
RECQL P46063 1/20 0.50
PLIN5 Q00G26 1/20 0.50
ABHD5 Q8WTS1 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A1 P04798 4/20 0.48
CYP1A2 P05177 4/20 0.48
CYP2D6 P10635 4/20 0.48

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
SCHEMBL2456986 0.83 CA1 (0.50) MAPTKMT2AKDM4ENFKB1
SCHEMBL755806 0.83 CA1 (0.50) MAPTKMT2AKDM4ENFKB1
SCHEMBL10932498 0.83 CYP3A4 (0.56) CYP3A4MAPTLMNANPC1RAB9A
SCHEMBL30414823 0.79 MAPT (0.53) CYP3A4MAPTLMNANPC1RAB9A
SCHEMBL28642981 0.79 MAPT (0.53) CYP3A4MAPTLMNANPC1RAB9A
SCHEMBL9006476 0.79 MAPT (0.69) CYP3A4MAPTLMNANPC1RAB9A
SCHEMBL30305066 0.79 CCNC (0.45) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL13825716 0.79 MAPT (0.51) CYP3A4MAPTLMNANPC1RAB9A
SCHEMBL8987422 0.78 MAOB (0.69) MAPTLMNANPC1RAB9ABCHE
SCHEMBL29716572 0.78 MAOB (0.69) MAPTLMNANPC1RAB9ABCHE

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