SCHEMBL4599856

SCHEMBL4599856

O=C(O)c1ccc(Oc2ncccc2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.65
PPARG P37231 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
TRPV1 Q8NER1 7/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TNF P01375 1/20 0.53
NOD1 Q9Y239 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
EPHX2 P34913 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
SCHEMBL4600567 0.89 KMT2A (0.82) KMT2APPARGRXFP1NCOR2
SCHEMBL4599900 0.88 KMT2A (0.70) KMT2APPARGRXFP1NCOR2NPC1
SCHEMBL2785360 0.82 TDP1 (0.54) KMT2ARAB9A
SCHEMBL5215974 0.81 ALDH1A1 (0.61) KMT2A
SCHEMBL10969124 0.81 P2RY1 (0.60) KMT2ATRPV1NPC1
SCHEMBL135002 0.80 P2RY1 (0.72) KMT2A
SCHEMBL29549324 0.80 P2RY1 (0.72) KMT2A
SCHEMBL4939060 0.79 KMT2A (0.82) KMT2A
SCHEMBL3960247 0.79 KDR (0.78) KMT2ANPC1RAB9A
SCHEMBL11730950 0.79 NPC1 (0.77) TRPV1NPC1RAB9AEPHX2

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 2 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