Sugi Predict

Sugi Predict / Compounds / SCHEMBL7546948

SCHEMBL7546948

SCHEMBL7546948

CC1=NN=C(c2ccc(NC(=O)Cc3ccccc3)cc2)c2cc3c(cc2C1)OCO3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ MAPT P10636 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ GRIA2 P42262 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ LMNA P02545 1/20 0.56
▸ NPC1 O15118 6/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ WNT3A P56704 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7394553 0.87 MAPT (0.62) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL8792138 0.87 KMT2A (0.62) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL8793166 0.86 ALDH1A1 (0.61) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL8792742 0.86 ALDH1A1 (0.64) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL8795298 0.86 ROCK2 (0.43) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL8794897 0.86 ALDH1A1 (0.58) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL7399024 0.85 MAPT (0.60) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL8794644 0.85 ALDH1A1 (0.59) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL8794642 0.85 ALDH1A1 (0.59) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL8794682 0.85 MAPT (0.59) MEN1KMT2AMAPTALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0492485-B1 N-Acyl-2,3-benzodiazepine derivatives, pharmaceutical compositions containing them and process for preparing same GYOGYSZERKUTATO INTEZET (HU) 1997-11-19 — — EP disclosed
US-5639751-A N-acyl-2,3-benzodiazepine derivatives for treating acute and chronic neurodegenerative disorders CYOGYSZERKUTATO INTEZET KFT (HU) 1997-06-17 — — US disclosed
US-5604223-A TREATING EPILEPSY, NERVOUS SYSTEM DISORDER GYOGYSZERKUTATO INTEZET KFT. (HU) 1997-02-18 — — US disclosed
US-5536832-A CENTRAL NERVOUS SYSTEM DISORDERS GYOGYSZERKUTATO INTEZET KFT (HU) 1996-07-16 — — US disclosed
US-5521174-A ANTISPASMODIC AGENTS GYOGYSZERKUTATO INTEZET KV. (HU) 1996-05-28 — — US disclosed
US-5519019-A NERVOUS SYSTEM DISORDERS AND MUSCLE RELAXANTS GYOGYSZERKUTATO INTEZET (HU) 1996-05-21 — — US disclosed
US-5459137-A Muscle relaxants, anticonvulsants, neuroprotective agents GYOGYSZERKU-TATO INTEZET KFT (HU) 1995-10-17 — — US disclosed
EP-0565557-A1 1-(4-ACYLAMINOPHENYL)-7,8-METHYLENEDIOXY-5H-2,3-BENZO-DIAZEPINE DERIVATIVES AND ACID ADDITION SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYOGYSZERKUTATO INTEZET K.V. (HU) 1993-10-20 — — EP disclosed
WO-1992011262-A1 1-(4-ACYLAMINOPHENYL)-7,8-METHYLENEDIOXY-5H-2,3-BENZO-DIAZEPINE DERIVATIVES AND ACID ADDITION SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYÓGYSZERKUTATÓ INTÉZET K.V. (HU) 1992-07-09 — — WO disclosed
EP-0492485-A1 N-Acyl-2,3-benzodiazepine derivatives, pharmaceutical compositions containing them and process for preparing same GYOGYSZERKUTATO INTEZET (HU) 1992-07-01 — — EP disclosed