SCHEMBL7367541

SCHEMBL7367541

O=C(C=Cc1ccccc1)c1cccnc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
KDM4E B2RXH2 4/20 0.58
LMNA P02545 3/20 0.58
NPC1 O15118 1/20 0.58
PKM P14618 1/20 0.58
RAB9A P51151 1/20 0.58
NAPRT Q6XQN6 1/20 0.57
BCHE P06276 2/20 0.57
CYP2C19 P33261 1/20 0.57
MAOB P27338 4/20 0.52
CYP3A4 P08684 4/20 0.51
CYP1B1 Q16678 3/20 0.51
CYP1A1 P04798 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
MAOA P21397 2/20 0.51
ALDH1A1 P00352 3/20 0.50
TP53 P04637 2/20 0.50
PLIN1 O60240 1/20 0.50
TNFRSF1A P19438 1/20 0.50

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
SCHEMBL6997009 0.85 NAPRT (0.66) MAPTKDM4ELMNANAPRTMAOB
SCHEMBL31238913 0.78 MAPT (0.66) MAPTKDM4ELMNABCHECYP2C19
SCHEMBL8987134 0.78 MAPT (0.66) MAPTKDM4ELMNABCHECYP2C19
SCHEMBL8987126 0.78 MAPT (0.66) MAPTKDM4ELMNABCHECYP2C19
SCHEMBL27679215 0.78 NPC1 (0.54) MAPTKDM4ELMNANPC1PKM
SCHEMBL7373331 0.77 KMT2A (0.57) MAPTKDM4ELMNANPC1PKM
SCHEMBL27438796 0.76 MAPT (0.69) MAPTKDM4ELMNANPC1PKM
SCHEMBL28051596 0.75 MAPT (0.66) MAPTKDM4ELMNANPC1RAB9A
SCHEMBL25202121 0.74 MAPT (0.73) MAPTKDM4ELMNANPC1RAB9A
SCHEMBL31233508 0.74 MAPT (0.73) MAPTKDM4ELMNANPC1RAB9A

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