SCHEMBL7370739

SCHEMBL7370739

O=C(c1cccnc1F)c1c[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.66
KDR P35968 2/20 0.51
AHR P35869 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
PBRM1 Q86U86 1/20 0.50
ATM Q13315 1/20 0.50
PIM1 P11309 1/20 0.49
NAPRT Q6XQN6 1/20 0.49
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NR4A2 P43354 1/20 0.47
CREBBP Q92793 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
IGF1R P08069 1/20 0.46
SRC P12931 1/20 0.46

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
SCHEMBL10656794 0.82 GPR84 (0.64) GPR84KDRAHRALDH1A1MAPK1
SCHEMBL28204348 0.82 GPR84 (0.64) GPR84KDRAHRALDH1A1MAPK1
SCHEMBL2028344 0.81 GPR84 (1.00) GPR84AHRALDH1A1MAPK1PBRM1
SCHEMBL8531453 0.80 GPR84 (0.77) GPR84AHRALDH1A1MAPK1PBRM1
SCHEMBL21438815 0.80 GPR84 (0.71) GPR84AHRALDH1A1MAPK1PBRM1
SCHEMBL31651424 0.80 GPR84 (0.77) GPR84AHRALDH1A1MAPK1PBRM1
SCHEMBL27612856 0.79 NAPRT (0.73) ALDH1A1NAPRTTP53SMN1; SMN2NPSR1
SCHEMBL10654486 0.79 GPR84 (0.59) GPR84KDRAHRALDH1A1MAPK1
SCHEMBL10521630 0.78 GPR84 (0.67) GPR84AHRALDH1A1MAPK1PBRM1
SCHEMBL31711506 0.78 GPR84 (0.67) GPR84AHRALDH1A1MAPK1PBRM1

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