SCHEMBL4599740

SCHEMBL4599740

O=C(Nc1ccccc1)c1cccnc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.67
KMT2A Q03164 9/20 0.65
MEN1 O00255 8/20 0.65
ALDH1A1 P00352 3/20 0.65
MAPT P10636 3/20 0.65
GAA P10253 1/20 0.65
NAPRT Q6XQN6 1/20 0.61
HTT P42858 3/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
EGLN1 Q9GZT9 1/20 0.55
TDP1 Q9NUW8 3/20 0.55
KDM4E B2RXH2 2/20 0.55
LMNA P02545 2/20 0.55
GLA P06280 1/20 0.55
HPGD P15428 2/20 0.54
TP53 P04637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LCLAT1 Q6UWP7 1/20 0.54
MAPK1 P28482 1/20 0.52

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
SCHEMBL4600539 0.89 KMT2A (0.63) PRKCIKMT2AMEN1ALDH1A1MAPT
SCHEMBL447449 0.86 NAPRT (0.51) PRKCIKMT2AMEN1ALDH1A1MAPT
SCHEMBL1817201 0.84 SMN1; SMN2 (0.55) PRKCIKMT2AMEN1ALDH1A1MAPT
SCHEMBL445818 0.83 EGLN1 (0.62) RAB9ANPC1EGLN1KDR
Hydrochloric Acid SCHEMBL2105320 0.83 SMN1; SMN2 (0.54) PRKCIKMT2AMEN1ALDH1A1MAPT
SCHEMBL4970426 0.82 NPC1 (0.68) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL444553 0.82 TRPV1 (0.60) KDM4E
SCHEMBL20618438 0.81 EGLN1 (0.61) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL3956492 0.81 EGLN1 (0.50) PRKCIKMT2AMEN1ALDH1A1NAPRT
SCHEMBL13175094 0.80 PRKCI (0.67) PRKCIKMT2AMEN1ALDH1A1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102203065-B Novel phenylamide or pyridylamide derivatives and their use as GPBAR1 agonists HOFFMANN LA ROCHE 2014-07-09 CN claimed
CN-102203065-B Novel phenylamide or pyridylamide derivatives and their use as GPBAR1 agonists HOFFMANN LA ROCHE 2014-07-09 CN disclosed
EP-1910295-A1 SUBSTITUTED PYRIDOCARBOXAMIDES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR 1 (PAI-1) Bayer HealthCare AG (DE) 2008-04-16 EP disclosed
WO-2007028456-A1 SUBSTITUTED PYRIDOCARBOXAMIDES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR 1 (PAI-1) BAYER HEALTHCARE AG (DE) 2007-03-15 WO disclosed
WO-2007028456-A1 SUBSTITUTED PYRIDOCARBOXAMIDES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR 1 (PAI-1) BAYER HEALTHCARE AG (DE) 2007-03-15 WO disclosed