SCHEMBL4750110

SCHEMBL4750110

COC(=O)c1cccc(NCCC2CN(C(=O)O)CCN2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.48
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CASR P41180 3/20 0.41
EGFR P00533 1/20 0.40
CCR3 P51677 1/20 0.39
RHOA P61586 1/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4284056 1.00 HTR7 (0.48) HTR7HSD17B10MAPK1LMNARAB9A
SCHEMBL4287898 0.90 SLC6A2 (0.44) LMNARAB9AALDH1A1KMT2AMEN1
SCHEMBL4282105 0.87 POLB (0.48) LMNARAB9AALDH1A1KMT2AMEN1
SCHEMBL4294740 0.83 MAN1B1 (0.43) CCR3POLB
SCHEMBL4287630 0.82 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL4284770 0.82 ALDH1A1 (0.41) RAB9AALDH1A1KMT2ACCR3POLB
SCHEMBL4291132 0.80 MAPT (0.42) RAB9AKMT2AMEN1SMN1; SMN2CCR3
SCHEMBL4973478 0.79 ADRB1 (0.40) RAB9AALDH1A1SMN1; SMN2CCR3POLB
SCHEMBL4284858 0.78 CA1 (0.42) LMNARAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8116637 0.78 CCR3 (0.44) RAB9ASMN1; SMN2CCR3

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
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed