SCHEMBL24658982

SCHEMBL24658982

Cc1cc(Cl)c2cc(Br)c(O)cc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.39
NR4A2 P43354 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
PGK1 P00558 1/20 0.33
HSP90AA1 P07900 1/20 0.32
CRHR1 P34998 1/20 0.32
ESRRB O95718 1/20 0.32
ESR1 P03372 1/20 0.32
ESRRA P11474 1/20 0.32
ESR2 Q92731 1/20 0.32
NT5E P21589 1/20 0.32
KMT2A Q03164 1/20 0.32
PRNP P04156 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NOD2 Q9HC29 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL5036306 0.77 MAPT (0.50) MAPTLMNAPOLBNR4A2PGK1
SCHEMBL9724203 0.74 MAPT (0.63) MAPTLMNAPOLBNR4A2L3MBTL1
SCHEMBL5042731 0.72 NCF1 (0.54) LMNAL3MBTL1KMT2AHPGDHTT
SCHEMBL31353405 0.71 POLB (0.37) MAPTLMNAPOLBNR4A2L3MBTL1
SCHEMBL9073054 0.71 MAPT (0.56) MAPTLMNAPOLBNR4A2L3MBTL1
SCHEMBL4966407 0.71 LMNA (0.68) MAPTLMNANT5EKMT2APRNP
SCHEMBL4249792 0.71 LMNA (0.68) MAPTLMNAPOLBL3MBTL1ESRRB
Hydrochloric Acid SCHEMBL5042755 0.71 NCF1 (0.52) LMNAL3MBTL1KMT2AHPGDHTT
SCHEMBL27604183 0.71 ATM (0.38) POLBL3MBTL1HPGDCYP1A2
Hydrochloric Acid SCHEMBL27604028 0.70 ATM (0.37) POLBL3MBTL1HPGDCYP1A2

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-117279914-A SOS1 inhibitor and preparation method and application thereof 南京再明医药有限公司 2023-12-22 CN disclosed
WO-2022161461-A1 SOS1 INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 江苏先声药业有限公司 2022-08-04 WO disclosed
WO-2022161461-A1 SOS1 INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 江苏先声药业有限公司 2022-08-04 WO disclosed