SCHEMBL9033393

SCHEMBL9033393

CCCn1cnc(S(=O)(=O)NCCCN2CCOCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
POLB P06746 4/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL9034662 0.94 KMT2A (0.49) KMT2ATSHRTDP1POLBCYP3A4
SCHEMBL9032701 0.92 KMT2A (0.51) KMT2ATSHRTDP1POLBCYP3A4
SCHEMBL9032216 0.87 KMT2A (0.55) KMT2ATSHRTDP1POLBCYP3A4
SCHEMBL9032472 0.83 KMT2A (0.51) KMT2ATSHRTDP1POLBCYP3A4
SCHEMBL9033120 0.82 KMT2A (0.50) KMT2ATSHRTDP1POLBCYP3A4
SCHEMBL9032265 0.79 ALDH1A1 (0.53) KMT2ATSHR
SCHEMBL9032024 0.78 POLB (0.56) KMT2ATDP1POLBCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9400664 0.77 POLB (0.55) KMT2ATDP1POLBCYP3A4CYP2D6
SCHEMBL9034489 0.76 KMT2A (0.51) KMT2ATSHRTDP1POLBCYP3A4
SCHEMBL9031067 0.76 LMNA (0.50) KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0442348-B1 Imidazole compounds, process for preparation, medicaments based on these compounds and some intermediates HOECHST AG (DE) 1996-07-17 EP disclosed
US-5356922-A Treatment of disturbances in microcirculation HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-18 US disclosed
US-5232922-A Cardiovascular disorders HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-03 US disclosed
EP-0442348-A2 Imidazole compounds, process for preparation, medicaments based on these compounds and some intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-21 EP disclosed