SCHEMBL30931762

SCHEMBL30931762

COC(=O)c1cc(Oc2ccc(Br)nc2)cc(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ BCL2L1 Q07817 2/20 0.36
▸ MCL1 Q07820 2/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ SCN9A Q15858 2/20 0.36
▸ SCN5A Q14524 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
SCHEMBL21551338 1.00 NR1H2 (0.42) NR1H2NR1H3ALDH1A1MEN1MAPT
SCHEMBL26077248 0.79 RAB9A (0.43) NR1H2NR1H3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL20616269 0.79 L3MBTL1 (0.52) NR1H2NR1H3MEN1KMT2ASMN1; SMN2
SCHEMBL21551302 0.77 TOP2A (0.37) P2RX3BCL2L1MCL1
SCHEMBL28550707 0.77 LTA4H (0.33) SMN1; SMN2
SCHEMBL21551431 0.77 KMT2A (0.46) NR1H2NR1H3MEN1KMT2A
SCHEMBL21564351 0.76 CARM1 (0.35) —
SCHEMBL30931853 0.76 FURIN (0.47) NR1H2NR1H3
SCHEMBL21551301 0.76 TACR1 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL21551153 0.76 FURIN (0.47) NR1H2NR1H3

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-112384509-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 — — CN disclosed
Send feedback