SCHEMBL9032506

SCHEMBL9032506

CCn1cnc(S(=O)(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2E1 P05181 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MAP3K5 Q99683 1/20 0.37
▸ SMYD3 Q9H7B4 1/20 0.36
▸ CPB2 Q96IY4 3/20 0.35
▸ THRB P10828 1/20 0.33
▸ CPB1 P15086 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL10425374 0.85 KDM5A (0.42) CPB2THRBCPB1KMT2A
SCHEMBL31487985 0.81 CYP2E1 (0.40) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL9032448 0.81 CYP2E1 (0.40) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL4590745 0.81 THRB (0.35) THRBPOLBKMT2A
SCHEMBL304175 0.74 LMNA (0.46) KMT2A
Hydrochloric Acid SCHEMBL27398725 0.72 LMNA (0.45) KMT2A
SCHEMBL31416103 0.69 KMT2A (0.40) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL9032483 0.67 KDM5A (0.39) CPB2CPB1KMT2A
SCHEMBL151394 0.67 SMYD3 (0.50) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2702033 0.65 TDP1 (0.45) THRB

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 5 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
CN-1053919-A New imidazolium compounds, its preparation method and based on medicament and some intermediate product of these compounds HOECHST AG (DE) 1991-08-21 — — CN disclosed
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