SCHEMBL7981483

SCHEMBL7981483

CNc1ccc(C(C)(NC(=O)O)C(=O)N2CCCC2)cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.39
GAA P10253 1/20 0.38
HDAC1 Q13547 5/20 0.35
HDAC2 Q92769 5/20 0.35
HDAC3 O15379 4/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
PKM P14618 1/20 0.33
STK25 O00506 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RAD52 P43351 1/20 0.32

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
SCHEMBL4449996 0.86 ALOX15 (0.38) PRKCIGAAHDAC1HDAC2HDAC3
SCHEMBL7413823 0.86 ALOX15 (0.38) PRKCIGAAHDAC1HDAC2HDAC3
SCHEMBL7979459 0.83 HCAR3 (0.47) RAB9ANPC1PKMHTTMAPT
SCHEMBL7476265 0.74 ALOX15 (0.36) PRKCIRAB9ANPC1PKML3MBTL1
SCHEMBL7100641 0.73 AAK1 (0.38) PRKCIRAB9ANPC1PKML3MBTL1
SCHEMBL7097430 0.73 ALOX15 (0.35) PRKCIRAB9ANPC1PKML3MBTL1
SCHEMBL7977952 0.72 LMNA (0.45) GAARAB9AL3MBTL1HTTSMN1; SMN2
SCHEMBL7421332 0.71 PRKCI (0.33) PRKCIGAARAB9ANPC1PKM
SCHEMBL7421339 0.71 PRKCI (0.32) PRKCIGAARAB9ANPC1PKM
SCHEMBL7099917 0.71 STK25 (0.32) PRKCIHDAC1HDAC2HDAC3STK25

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed