SCHEMBL18801045

SCHEMBL18801045

COc1c(-c2ccoc2)ccc(CSc2ccccn2)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
METAP2 P50579 3/20 0.43
POLB P06746 1/20 0.41
RAB9A P51151 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.39
APOBEC3A P31941 1/20 0.39
HTT P42858 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 1/20 0.39
APEX1 P27695 1/20 0.39
LMNA P02545 2/20 0.38
MAPK10 P53779 1/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
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
SCHEMBL18801336 0.91 LMNA (0.44) ALDH1A1METAP2POLBRAB9ANPSR1
SCHEMBL1649341 0.86 METAP2 (0.47) ALDH1A1METAP2RAB9AKMT2ASMN1; SMN2
SCHEMBL18801057 0.82 METAP2 (0.42) ALDH1A1METAP2RAB9AKMT2ASMN1; SMN2
SCHEMBL18801150 0.81 METAP2 (0.48) METAP2POLB
SCHEMBL18801061 0.81 METAP2 (0.43) ALDH1A1METAP2POLBRAB9AKMT2A
SCHEMBL1648786 0.80 METAP2 (0.47) ALDH1A1METAP2RAB9AKMT2ASMN1; SMN2
SCHEMBL18801306 0.79 METAP2 (0.56) ALDH1A1METAP2POLBRAB9AKMT2A
SCHEMBL18801277 0.78 CYP2C9 (0.42) ALDH1A1METAP2KMT2ALMNA
SCHEMBL18801304 0.78 METAP2 (0.49) ALDH1A1METAP2KMT2AHPGDLMNA
SCHEMBL1648250 0.78 METAP2 (0.43) METAP2RAB9AKMT2AHTTSMN1; SMN2

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-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed