SCHEMBL9724048

SCHEMBL9724048

CCOC(=O)C1CSCN1C(=O)Cc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
GPR35 Q9HC97 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35

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
SCHEMBL9724032 0.88 KMT2A (0.38) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL9724034 0.84 KMT2A (0.50) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL9727534 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL9724045 0.79 KMT2A (0.61) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL9724030 0.79 POLB (0.36) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL9724050 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL9724038 0.77 KMT2A (0.39) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL9724043 0.77 TSHR (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2RECQL
SCHEMBL9727211 0.76 KDM4E (0.51) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL7051453 0.73 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2POLB

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
US-5116836-A Herbicides, insecticides, miticides BAYER AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed