SCHEMBL29761326

SCHEMBL29761326

CCc1ccc2cc3ccc(F)cc3c(-c3c(OCOC(C)=O)c(C)nn(C)c3=O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.34
▸ CASP3 P42574 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ SMN1; SMN2 Q16637 5/20 0.33
▸ LMNA P02545 3/20 0.33
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ PLA2G2A P14555 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ GABRA1 P14867 1/20 0.32

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
SCHEMBL29059216 0.90 CASP3 (0.35) TSHRCASP3CYP1A2CYP2C19SMN1; SMN2
SCHEMBL29761323 0.81 CASP3 (0.38) TSHRCASP3CYP1A2CYP2C19SMN1; SMN2
SCHEMBL29761325 0.78 MIF (0.34) TSHRCASP3CYP1A2CYP2C19SMN1; SMN2
SCHEMBL29058636 0.70 SMN1; SMN2 (0.37) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL29058598 0.67 LMNA (0.32) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL29761331 0.65 MMP1 (0.34) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL29761328 0.64 POLB (0.35) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL29761324 0.64 SMN1; SMN2 (0.37) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL29058642 0.63 SMN1; SMN2 (0.38) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL510389 0.63 MAPT (0.32) SMN1; SMN2LMNAHTT

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
EP-4267556-A1 SUBSTITUTED PYRIDAZINONE HERBICIDES FMC CORPORATION (US) 2023-11-01 — — EP disclosed
WO-2022140309-A1 SUBSTITUTED PYRIDAZINONE HERBICIDES FMC CORPORTION (US) 2022-06-30 — — WO disclosed
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