SCHEMBL29555183

SCHEMBL29555183

FCC1(Cn2c(CCl)nc3ccccc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
LMNA P02545 5/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HIF1A Q16665 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
ESR1 P03372 1/20 0.38
PGR P06401 1/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2B P18089 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
SCHEMBL29053161 0.78 AGTR1 (0.41) MEN1KMT2AGAARAB9ATDP1
SCHEMBL29555329 0.78 AGTR1 (0.41) MEN1KMT2AGAARAB9ATDP1
SCHEMBL25340079 0.75 ACSS2 (0.43) ALDH1A1PKMHTT
SCHEMBL29946034 0.75 ACSS2 (0.43) ALDH1A1PKMHTT
SCHEMBL25005481 0.73 PDE2A (0.41) MEN1KMT2ALMNARAB9AALDH1A1
SCHEMBL29924247 0.73 PDE2A (0.41) MEN1KMT2ALMNARAB9AALDH1A1
SCHEMBL7741401 0.72 MEN1 (0.59) MEN1KMT2ALMNAGAARAB9A
SCHEMBL31183018 0.72 MEN1 (0.68) MEN1KMT2ALMNAGAACYP1A2
SCHEMBL4155796 0.72 MEN1 (0.68) MEN1KMT2ALMNAGAACYP1A2
SCHEMBL4766707 0.72 MEN1 (0.62) MEN1KMT2ALMNAGAACYP1A2

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
WO-2022078152-A1 BENZIMIDAZOLONE GLP-1 RECEPTOR AGONIST AND USE THEREOF 杭州中美华东制药有限公司 2022-04-21 WO disclosed