SCHEMBL9033200

SCHEMBL9033200

CCCCn1cncc1S(=O)(=O)NCCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
POLB P06746 4/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
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
SCHEMBL9034489 0.94 KMT2A (0.51) KMT2APOLBCYP3A4CYP2D6CYP2C19
SCHEMBL9032295 0.84 KMT2A (0.55) KMT2APOLBCYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL9400449 0.83 KMT2A (0.54) KMT2APOLBCYP3A4CYP2D6CYP2C19
SCHEMBL9034662 0.76 KMT2A (0.49) KMT2APOLBCYP3A4CYP2D6CYP2C19
SCHEMBL9033393 0.73 KMT2A (0.50) KMT2APOLBCYP3A4CYP2D6CYP2C19
SCHEMBL9032216 0.72 KMT2A (0.55) KMT2APOLBCYP3A4CYP2D6CYP2C19
SCHEMBL23649331 0.71 KMT2A (0.67) KMT2APOLBCYP3A4CYP2D6CYP2C19
SCHEMBL9032701 0.71 KMT2A (0.51) KMT2APOLBCYP3A4CYP2D6CYP2C19
SCHEMBL12509429 0.70 KMT2A (0.73) KMT2APOLBCYP3A4CYP2D6CYP2C19
SCHEMBL12801144 0.70 KMT2A (0.54) KMT2APOLBCYP3A4CYP2D6CYP2C19

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