SCHEMBL6542853

SCHEMBL6542853

Cc1cccc(N(C(N)=O)c2ccc3sc(C)nc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.42
HDAC4 P56524 1/20 0.41
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DYRK1A Q13627 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL6542786 0.85 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL4606083 0.79 PARP1 (0.52) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL366746 0.75 PARP1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL6312791 0.72 AGPAT2 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL4011584 0.72 RAB9A (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL14485659 0.72 RAB9A (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL2723730 0.71 HSD17B1 (0.39) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL3255931 0.70 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL12210669 0.70 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL27493421 0.69 RAB9A (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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-1465623-A1 UREA DERIVATIVES Bayer HealthCare AG (DE) 2004-10-13 EP disclosed
WO-2003055484-A1 UREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-07-10 WO disclosed