SCHEMBL30602811

SCHEMBL30602811

Oc1nn(Cc2ccccc2)c2ccc(Br)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GALR3 O60755 1/20 0.45
GAA P10253 1/20 0.45
NPY1R P25929 1/20 0.45
STAT3 P40763 1/20 0.45
NPY2R P49146 1/20 0.45
CNR1 P21554 3/20 0.44
ACHE P22303 3/20 0.44
CNR2 P34972 3/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL30602807 0.82 PTGER4 (0.44) PTGDR2NR1H2NR1H3PTGER4SRC
SCHEMBL9917435 0.82 PDE5A (0.49) PTGDR2MAPTMEN1KMT2ACNR1
SCHEMBL1216862 0.82 CYP1A2 (0.51) PTGDR2GAAALDH1A1CYP1A2CYP3A4
SCHEMBL3017384 0.81 CNR1 (0.58) MAPTCNR1ACHECNR2ALDH1A1
SCHEMBL10627901 0.80 CNR1 (0.56) MAPTCNR1ACHECNR2ALDH1A1
SCHEMBL10627892 0.80 CNR1 (0.56) MAPTCNR1ACHECNR2ALDH1A1
SCHEMBL30602797 0.79 CNR2 (0.53) PTGDR2MAPTMEN1KMT2AGALR3
SCHEMBL30695107 0.78 CNR2 (0.53) PTGDR2MAPTMEN1KMT2AGALR3
SCHEMBL17183855 0.78 CNR2 (0.53) PTGDR2MAPTMEN1KMT2AGALR3
SCHEMBL8441605 0.77 PTGS2 (0.50) MAPTKMT2ACNR1CNR2PLA2G2A

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-119095828-A Indazole compound, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-12-06 CN disclosed
WO-2023186058-A1 INDAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2023-10-05 WO disclosed