SCHEMBL9053188

SCHEMBL9053188

CC(C)C[C](N)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
BLM P54132 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
RECQL P46063 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
F12 P00748 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
PARP1 P09874 1/20 0.41
CYP2C19 P33261 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL9493113 0.76 MAPT (0.41) MAPTTDP1L3MBTL1TSHRPOLB
SCHEMBL1537422 0.74 MAPT (0.40) MAPTTDP1L3MBTL1TSHRPOLB
SCHEMBL7416756 0.74 SMN1; SMN2 (0.51) MAPTTDP1RECQLL3MBTL1POLB
SCHEMBL1043878 0.73 ATM (0.50) MAPTBLMTDP1RECQLL3MBTL1
SCHEMBL9799560 0.73 TSHR (0.63) MAPTTDP1L3MBTL1TSHRPOLB
SCHEMBL535991 0.73 MAOA (0.47) MAPTTDP1L3MBTL1TSHRCYP3A4
SCHEMBL2026026 0.73 TSHR (0.63) MAPTTDP1L3MBTL1TSHRPOLB
SCHEMBL1774826 0.71 ATM (0.43) MAPTTDP1L3MBTL1TSHRPOLB
SCHEMBL4827392 0.71 HDAC1 (0.38) MAPTTDP1L3MBTL1TSHRSMN1; SMN2
SCHEMBL1043478 0.70 CES2 (0.52) MAPTBLMTDP1RECQLL3MBTL1

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
EP-0715618-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP disclosed