SCHEMBL4600539

SCHEMBL4600539

O=C(Nc1ccc(F)cc1)c1cccnc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
ALDH1A1 P00352 2/20 0.61
LMNA P02545 2/20 0.61
KDM4E B2RXH2 4/20 0.57
MEN1 O00255 3/20 0.57
MAPT P10636 2/20 0.57
KDR P35968 1/20 0.57
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NAPRT Q6XQN6 1/20 0.54
AHR P35869 1/20 0.54
DHODH Q02127 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
PRKCI P41743 2/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CRHBP P24387 1/20 0.52
CYP2C19 P33261 1/20 0.52
CRHR2 Q13324 1/20 0.52
NPC1 O15118 1/20 0.51

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
SCHEMBL4599740 0.89 PRKCI (0.67) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL447449 0.88 NAPRT (0.51) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL445818 0.85 EGLN1 (0.62) KDRNPC1RAB9A
SCHEMBL1944860 0.84 PRKCI (0.75) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL10971857 0.84 KMT2A (0.65) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL1720895 0.84 KCNQ3 (0.59) ALDH1A1
SCHEMBL444553 0.84 TRPV1 (0.60) KDM4E
SCHEMBL20618438 0.83 EGLN1 (0.61) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL3956492 0.83 EGLN1 (0.50) KMT2AALDH1A1KDM4EMEN1KDR
SCHEMBL12409539 0.82 KMT2A (0.62) KMT2AALDH1A1LMNAKDM4EMEN1

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
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