SCHEMBL6183790

SCHEMBL6183790

Cc1cc(-n2ccc(C(=O)NC(=N)NOC(=O)C(F)(F)F)c2)c2ccccc2n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 2/20 0.35
GUSB P08236 1/20 0.35
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
PIK3R2 O00459 1/20 0.34

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
SCHEMBL6082145 0.85 L3MBTL1 (0.38) NCF1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL6081552 0.83 NCF1 (0.43) NCF1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4243183 0.81 PIK3R2 (0.37) NCF1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL6083397 0.73 GAA (0.40) KDM4EALDH1A1
SCHEMBL6082378 0.73 GAA (0.36) KDM4EALDH1A1
SCHEMBL6082840 0.71 NR4A2 (0.41) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL8337393 0.71 NCF1 (0.45) NCF1MEN1KMT2AMAPTL3MBTL1
Trifluoroacetic Acid SCHEMBL6082140 0.71 L3MBTL1 (0.39) NCF1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL6082440 0.71 CD38 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6224003 0.68 PIK3R2 (0.39) NCF1MEN1KMT2AKDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1523480-A2 DERIVATIVES OF 3-GUANIDINOCARBONYL-1-HETEROARYL-PYRROLE, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE Aventis Pharma Deutschland GmbH (DE) 2005-04-20 EP disclosed
WO-2004007478-A2 DERIVATIVES OF 3-GUANIDINOCARBONYL-1-HETEROARYL-PYRROLE, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-22 WO disclosed