SCHEMBL30253971

SCHEMBL30253971

O=c1ccc(C2CC2)nn1-c1ccc2c(c1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ GRK2 P25098 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP11B2 P19099 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37

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
SCHEMBL30253500 0.79 RAB9A (0.46) CA12CA1CA2CA9KMT2A
SCHEMBL30253451 0.78 GRK2 (0.43) GRK2KMT2ACTDSP1MAPTRAB9A
SCHEMBL29576691 0.73 FGFR1 (0.47) MAPTBRD9LMNA
SCHEMBL13820085 0.65 CMA1 (0.56) GRK2KMT2ACTDSP1MAPTRAB9A
SCHEMBL3188905 0.64 ALDH1A1 (0.54) GRK2KMT2ACTDSP1MAPTRAB9A
SCHEMBL29510602 0.63 CMA1 (0.58) GRK2KMT2ACTDSP1MAPTRAB9A
SCHEMBL28752534 0.63 CMA1 (0.58) GRK2KMT2ACTDSP1MAPTRAB9A
SCHEMBL3034060 0.63 NPC1 (0.54) CA12CA1CA2CA9GRK2
SCHEMBL10059372 0.63 ALDH1A1 (0.50) KMT2AMAPTRAB9ANPC1RECQL
SCHEMBL15875368 0.62 NOTUM (0.40) GRK2KMT2ACTDSP1RAB9ANPC1

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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