SCHEMBL18801355

SCHEMBL18801355

COC(=O)c1c(CSc2ccccc2)ccc2c(Br)ccc(OC)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
QRFPR Q96P65 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL1648194 0.81 L3MBTL1 (0.46) L3MBTL1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1649038 0.81 HDAC1 (0.36) L3MBTL1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL18801490 0.81 SMN1; SMN2 (0.44) L3MBTL1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL18801363 0.80 L3MBTL1 (0.47) L3MBTL1KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL1648200 0.79 KMT2A (0.41) L3MBTL1KMT2AALDH1A1RAB9ANPC1
SCHEMBL18801366 0.77 SMN1; SMN2 (0.53) L3MBTL1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL1647976 0.74 ALOX5 (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL1648170 0.74 MTNR1A (0.44) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL18801137 0.73 KMT2A (0.43) L3MBTL1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5753098 0.73 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1ALDH1A1SMN1; 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