SCHEMBL2404467

SCHEMBL2404467

O=C(O)c1cc(-c2ccccc2C(F)(F)F)nc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
DHODH Q02127 5/20 0.65
KDM4E B2RXH2 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ACP1 P24666 2/20 0.60
LMNA P02545 1/20 0.60
PDE10A Q9Y233 1/20 0.60
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
POLB P06746 1/20 0.55
ALDH1A1 P00352 1/20 0.53
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52
KMO O15229 1/20 0.52
C1R P00736 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
SCHEMBL2404532 0.89 ACP1 (0.57) MEN1KMT2ADHODHKDM4ESMN1; SMN2
Trifluoroacetic Acid SCHEMBL2402407 0.86 ACP1 (0.54) MEN1KMT2ADHODHKDM4ESMN1; SMN2
SCHEMBL8324531 0.82 MEN1 (0.77) MEN1KMT2ADHODHKDM4ESMN1; SMN2
SCHEMBL8620618 0.82 ACP1 (0.50) MEN1KMT2ADHODHKDM4ESMN1; SMN2
SCHEMBL31620661 0.81 MEN1 (0.71) MEN1KMT2ADHODHKDM4ESMN1; SMN2
SCHEMBL1898944 0.81 MEN1 (0.71) MEN1KMT2ADHODHKDM4ESMN1; SMN2
SCHEMBL18746 0.80 KDM4E (0.83) MEN1KMT2ADHODHKDM4ESMN1; SMN2
SCHEMBL29359819 0.80 KDM4E (0.83) MEN1KMT2ADHODHKDM4ESMN1; SMN2
SCHEMBL19520848 0.80 MEN1 (0.73) MEN1KMT2ADHODHKDM4ESMN1; SMN2
SCHEMBL10390275 0.79 ACP1 (0.56) MEN1KMT2ADHODHKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549872-A1 TRPV4 ANTAGONISTS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
WO-2011119701-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
EP-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 EP disclosed