SCHEMBL19328686

SCHEMBL19328686

CCCCCCCCCCCOc1ccsc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMPD1 P17405 4/20 0.39
PTPN11 Q06124 3/20 0.38
S1PR3 Q99500 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
MCHR1 Q99705 1/20 0.38
TLR8 Q9NR97 1/20 0.38

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
SCHEMBL4185747 1.00 NR5A1 (0.41) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL24158298 1.00 NR5A1 (0.41) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL19861972 0.98 MEN1 (0.38) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL15655221 0.93 CYP1A2 (0.43) NR5A1MEN1LMNACYP3A4MAPT
SCHEMBL3103832 0.81 NR5A1 (0.43) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL5133914 0.81 NR5A1 (0.43) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL1279017 0.81 NR5A1 (0.43) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL9641044 0.80 NR5A1 (0.42) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL29170841 0.80 NR5A1 (0.42) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL17135289 0.80 NR5A1 (0.42) NR5A1MEN1NR1I2LMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017152354-A1 AN ELECTRON-DONATING UNIT, A COPOLYMER THEREOF AND THEIR PREPARATION METHODS, AS WELL AS THEIR USES SOUTH UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA (CN) 2017-09-14 WO disclosed
WO-2017152354-A1 AN ELECTRON-DONATING UNIT, A COPOLYMER THEREOF AND THEIR PREPARATION METHODS, AS WELL AS THEIR USES SOUTH UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA (CN) 2017-09-14 WO disclosed