SCHEMBL1126595

SCHEMBL1126595

Cc1cn(C)c(C(=O)C(=O)Nc2cnc3ccccc3c2)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
POLB P06746 3/20 0.48
MAPT P10636 2/20 0.48
KDR P35968 6/20 0.48
NOTUM Q6P988 1/20 0.47
KDM4E B2RXH2 4/20 0.47
MITF O75030 1/20 0.47
XBP1 P17861 1/20 0.47
PAX8 Q06710 1/20 0.47
KLF5 Q13887 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL1127545 0.81 RAB9A (0.50) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL1126693 0.74 MEN1 (0.49) SMN1; SMN2POLBMAPTKDM4ELMNA
SCHEMBL1127158 0.73 FAAH (0.42) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL23880568 0.73 KDR (0.70) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL651159 0.72 KDR (0.74) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL1126845 0.72 HCRTR1 (0.41) RAB9ANPC1SMN1; SMN2MAPTHSD17B10
SCHEMBL1127139 0.71 MAPT (0.48) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL1126561 0.71 MAPT (0.41) RAB9ANPC1POLBMAPTKDM4E
SCHEMBL8115181 0.70 TRPV1 (0.65) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL13134245 0.69 KDM4E (0.63) RAB9ANPC1SMN1; SMN2POLBMAPT

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-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed