SCHEMBL26095095

SCHEMBL26095095

CC(=O)c1cc(Br)c2occc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
MAOB P27338 2/20 0.36
CYP2A6 P11509 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CA5A P35218 1/20 0.35
CTNNB1 P35222 3/20 0.35
WNT3A P56704 3/20 0.35
MAPK1 P28482 2/20 0.35
MAOA P21397 2/20 0.35
LMNA P02545 1/20 0.35
HTR1B P28222 1/20 0.35

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
SCHEMBL30950146 1.00 MAPT (0.39) MAPTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL5987785 0.84 TTR (0.47) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL18585526 0.83 LCK (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5987396 0.82 NOTUM (0.44) MAPTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL26476323 0.80 PTPN1 (0.44) CTNNB1WNT3A
SCHEMBL23217544 0.79 ALDH1A1 (0.46) MAPTALDH1A1MAOBNPC1RAB9A
SCHEMBL31026070 0.79 ALDH1A1 (0.46) MAPTALDH1A1MAOBNPC1RAB9A
SCHEMBL23217219 0.78 CTNNB1 (0.38) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7480987 0.77 PKM (0.51) MAPTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL30413335 0.77 ALDH1A1 (0.36) MAPTALDH1A1HPGDMAOBCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118176187-A Condensed ring compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-06-11 CN disclosed
WO-2023066357-A1 FUSED CYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2023-04-27 WO disclosed
WO-2023066357-A1 FUSED CYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2023-04-27 WO disclosed