SCHEMBL30253451

SCHEMBL30253451

O=C(O)c1cc(C2CC2)nn(-c2ccc3c(c2)OCCO3)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRK2 P25098 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ STING1 Q86WV6 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ LMNA P02545 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
SCHEMBL19377699 0.80 KEAP1 (0.52) NPC1RAB9APOLBSMN1; SMN2TP53
SCHEMBL21777246 0.79 KCNJ6 (0.45) KMT2APOLBL3MBTL1SMN1; SMN2PPARA
SCHEMBL29052238 0.79 PPARA (0.53) KMT2APOLBL3MBTL1RECQLTDP1
SCHEMBL30253971 0.78 CA12 (0.42) GRK2KMT2ACTDSP1NPC1RAB9A
SCHEMBL19463254 0.77 MAPT (0.45) NPC1PPARAALDH1A1MAPTTP53
SCHEMBL30253556 0.75 TSHR (0.49) NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL30672491 0.70 NPC1 (0.51) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL29052162 0.68 MAPT (0.41) KMT2ANPC1RAB9APOLBTDP1
SCHEMBL29780988 0.68 MAPT (0.41) KMT2ANPC1RAB9APOLBTDP1
SCHEMBL19429635 0.67 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53LMNA

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
Send feedback