SCHEMBL29924435

SCHEMBL29924435

COc1c(Br)cccc1OCC(=O)c1ccc(Cl)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
MAPT P10636 5/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPK1 P28482 2/20 0.44
GRM4 Q14833 2/20 0.44
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
CXCL12 P48061 1/20 0.39
NPC1 O15118 2/20 0.39
MAOB P27338 1/20 0.38
ANO1 Q5XXA6 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
SCHEMBL29150166 1.00 LMNA (0.44) LMNAMAPTRAB9AALDH1A1KMT2A
SCHEMBL24186455 0.90 LMNA (0.42) LMNAMAPTRAB9AALDH1A1KMT2A
SCHEMBL30286859 0.90 LMNA (0.42) LMNAMAPTRAB9AALDH1A1KMT2A
SCHEMBL23980856 0.88 RAB9A (0.45) LMNAMAPTRAB9AALDH1A1KMT2A
SCHEMBL30217421 0.88 RAB9A (0.45) LMNAMAPTRAB9AALDH1A1KMT2A
SCHEMBL29149852 0.85 LMNA (0.49) LMNAMAPTRAB9AALDH1A1KMT2A
SCHEMBL29924275 0.85 LMNA (0.49) LMNAMAPTRAB9AALDH1A1KMT2A
SCHEMBL30680755 0.84 LMNA (0.46) LMNAMAPTRAB9AALDH1A1KMT2A
SCHEMBL29150061 0.84 LMNA (0.46) LMNAMAPTRAB9AALDH1A1KMT2A
SCHEMBL29149922 0.82 KMT2A (0.43) LMNAMAPTRAB9AALDH1A1KMT2A

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
CN-117177970-A Polycyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-05 CN disclosed
WO-2022228490-A1 POLYCYCLIC DERIVATIVE MODULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2022-11-03 WO disclosed