SCHEMBL9750908

SCHEMBL9750908

CS(=O)(=O)OC(COc1ccc(Cl)cc1Cl)CN1CCCC(Cc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
ATM Q13315 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
DRD4 P21917 2/20 0.40
ACLY P53396 1/20 0.40
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
F8 P00451 1/20 0.38
F5 P12259 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
KDM1A O60341 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
SCHEMBL9750864 0.89 KMT2A (0.56) KMT2AMEN1ATMDRD4KDM4E
SCHEMBL9750904 0.86 KMT2A (0.57) KMT2AMEN1ATMCYP1A2CYP2D6
SCHEMBL9750861 0.75 KMT2A (0.72) KMT2AMEN1ATMCYP1A2CYP2D6
SCHEMBL9750911 0.71 KMT2A (0.81) KMT2AMEN1ATMCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL9751034 0.70 KMT2A (0.80) KMT2AMEN1ATMCYP1A2CYP2D6
SCHEMBL9598352 0.66 ALDH1A1 (0.68) KMT2AMEN1ATMCYP1A2CYP2D6
SCHEMBL10684393 0.65 BCHE (0.70) ATMCYP1A2CYP2D6CARM1PRMT6
SCHEMBL8238364 0.65 BCHE (0.70) ATMCYP1A2CYP2D6CARM1PRMT6
SCHEMBL7252204 0.64 CARM1 (0.61) KMT2AMEN1CARM1PRMT6ALDH1A1
SCHEMBL9912161 0.64 PRMT6 (0.68) CYP1A2CYP2D6CARM1PRMT6

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-5036077-A Antiseptics, preservatives, drugs, cosmetics, foods SANOFI (FR) 1991-07-30 US disclosed