SCHEMBL30253556

SCHEMBL30253556

Cc1cc(C(=O)O)c(=O)n(-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ CRHBP P24387 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ BRD9 Q9H8M2 3/20 0.48
▸ CMA1 P23946 1/20 0.48
▸ ALDH1A1 P00352 7/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ USP2 O75604 2/20 0.45
▸ AR P10275 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TGFBR1 P36897 1/20 0.43
▸ ATM Q13315 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
SCHEMBL30253658 0.85 ALDH1A1 (0.56) TSHRNPC1SMN1; SMN2MAPTRAB9A
SCHEMBL12986725 0.77 NTRK1 (0.55) TSHRNPC1RAB9AGAAALDH1A1
SCHEMBL15279120 0.76 PTGS2 (0.48) NPC1MAPTRAB9AGAAALDH1A1
SCHEMBL680255 0.76 PPARA (0.54) MAPTGAAALDH1A1L3MBTL1KDM4E
SCHEMBL30253451 0.75 GRK2 (0.43) TSHRNPC1SMN1; SMN2MAPTRAB9A
SCHEMBL19463471 0.74 MAPT (0.47) NPC1MAPTGAABRD9CMA1
SCHEMBL16557177 0.74 GFER (0.60) TSHRMAPTALDH1A1L3MBTL1HSD17B10
SCHEMBL15279145 0.73 RPA1 (0.46) SMN1; SMN2MAPTGAAALDH1A1L3MBTL1
SCHEMBL15279133 0.71 ALDH1A1 (0.43) TSHRSMN1; SMN2MAPTGAAALDH1A1
SCHEMBL15279139 0.70 ALDH1A1 (0.42) TSHRSMN1; SMN2GAAALDH1A1L3MBTL1

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
WO-2023040686-A1 PYRIDAZINONE COMPOUND, PREPARATION METHOD, HERBICIDE COMPOSITION AND USE THEREOF 江苏中旗科技股份有限公司 2023-03-23 — — WO disclosed
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