SCHEMBL29414449

SCHEMBL29414449

CCCCCCCCCCCCOc1csc2c(OCCCCCCCCCCCC)csc12

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
TSHR P16473 2/20 0.41
MCHR1 Q99705 1/20 0.38
TLR8 Q9NR97 1/20 0.38
CHUK O15111 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
ROCK2 O75116 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
SCHEMBL31498373 0.91 GPR35 (0.42) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL31498423 0.91 GPR35 (0.42) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL30475761 0.79 MEN1 (0.38) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL5057971 0.78 NR5A1 (0.44) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL738622 0.78 NR5A1 (0.44) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL9508243 0.78 NR5A1 (0.44) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL741426 0.78 NR5A1 (0.44) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL739382 0.78 NR5A1 (0.44) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL2745110 0.78 NR5A1 (0.44) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL2745120 0.78 NR5A1 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110229312-B Black polymer material and preparation method and application thereof 北京大学深圳研究生院 2022-03-25 CN disclosed