SCHEMBL8058995

SCHEMBL8058995

CCNc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(NCC)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ALDH1A1 P00352 7/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAPT P10636 3/20 0.46
▸ HTR6 P50406 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CCR9 P51686 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ UQCRB P14927 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44

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
SCHEMBL7832815 0.84 L3MBTL1 (0.74) L3MBTL1ALDH1A1KDM4ELMNAMAPT
Hydrochloric Acid SCHEMBL8056250 0.83 L3MBTL1 (0.72) L3MBTL1ALDH1A1KDM4ELMNAMAPT
SCHEMBL7836431 0.80 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAMAPTHTR6
SCHEMBL7826353 0.77 HTR6 (0.78) L3MBTL1ALDH1A1KDM4ELMNAMAPT
SCHEMBL7834367 0.77 HTR6 (0.78) L3MBTL1ALDH1A1KDM4ELMNAMAPT
SCHEMBL7837794 0.75 HTR6 (0.72) L3MBTL1ALDH1A1KDM4ELMNAMAPT
SCHEMBL7838659 0.74 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAMAPTHTR6
SCHEMBL7825724 0.74 L3MBTL1 (0.68) L3MBTL1ALDH1A1KDM4ELMNAMAPT
SCHEMBL7839439 0.74 L3MBTL1 (0.66) L3MBTL1ALDH1A1KDM4ELMNAMAPT
SCHEMBL19399664 0.74 GAA (0.68) ALDH1A1KDM4ELMNAMAPTCYP3A4

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-6030976-A SELECTIVE AFFINITY TO 5HT-6 RECEPTORS; CENTRAL NERVOUS SYSTEM DISORDERS; ALZHEIMER'S DISEASE, PSYCHOSES, SCHIZOPHRENIA, MANIC DEPRESSIONS, MEMORY DISORDERS, PARKINSON'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS AND HUNTINGTON'S DISEASE HOFFMAN-LA ROCHE INC. (US) 2000-02-29 — — US disclosed
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