SCHEMBL24534239

SCHEMBL24534239

O=C(CCl)Nc1ccc2c(c1)C(=O)OC2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.62
ALDH1A1 P00352 7/20 0.52
HTT P42858 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
RAB9A P51151 4/20 0.52
MITF O75030 4/20 0.52
NPC1 O15118 3/20 0.50
CASP2 P42575 1/20 0.49
CASP7 P55210 1/20 0.49
CASP6 P55212 1/20 0.49
CASP8 Q14790 1/20 0.49
TERT O14746 3/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL9630631 0.81 CASP3 (0.72) CASP3ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4294197 0.81 CASP3 (0.72) CASP3ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL31237670 0.81 CASP3 (0.72) CASP3ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL15427156 0.81 ALDH1A1 (0.72) CASP3ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL6260497 0.81 CASP3 (0.86) CASP3ALDH1A1CASP2CASP7CASP6
SCHEMBL3382902 0.79 ALDH1A1 (0.70) CASP3ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL1182441 0.79 ALDH1A1 (0.66) CASP3ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL2206541 0.78 MAPT (0.46) ALDH1A1SMN1; SMN2RAB9ANPC1TERT
SCHEMBL1566252 0.78 MAOA (0.65) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL12857989 0.77 CASP3 (1.00) CASP3ALDH1A1CASP2CASP7CASP6

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-116406231-A Molecules having certain pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2023-07-07 CN disclosed
WO-2022132609-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2022-06-23 WO disclosed