SCHEMBL11441982

SCHEMBL11441982

O=C(CCN1c2ccccc2Sc2ccccc21)N[O-].[Na+]

nearest known ligand 0.68

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A known ✓ P04350 1/20 0.47
TUBB known ✓ P07437 1/20 0.47
TUBA3C known ✓ P0DPH7 1/20 0.47
TUBA1B known ✓ P68363 1/20 0.47
TUBA4A known ✓ P68366 1/20 0.47
TUBB4B known ✓ P68371 1/20 0.47
TUBB3 known ✓ Q13509 1/20 0.47
TUBB2A known ✓ Q13885 1/20 0.47
TUBB8 known ✓ Q3ZCM7 1/20 0.47
TUBA3E known ✓ Q6PEY2 1/20 0.47
TUBA1A known ✓ Q71U36 1/20 0.47
TUBA1C known ✓ Q9BQE3 1/20 0.47
TUBB6 known ✓ Q9BUF5 1/20 0.47
TUBB2B known ✓ Q9BVA1 1/20 0.47
TUBB1 known ✓ Q9H4B7 1/20 0.47
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
MAPT P10636 4/20 0.68
LMNA P02545 1/20 0.65
FNTA P49354 5/20 0.60

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
SCHEMBL179882 0.79 MEN1 (1.00) MEN1KMT2AMAPTLMNAFNTA
SCHEMBL31014072 0.79 MEN1 (1.00) MEN1KMT2AMAPTLMNAFNTA
SCHEMBL8430522 0.78 MAPT (0.63) MEN1KMT2AMAPTLMNAFNTA
SCHEMBL13722563 0.78 MEN1 (0.73) MEN1KMT2AMAPTLMNAFNTA
SCHEMBL6542868 0.78 MEN1 (0.73) MEN1KMT2AMAPTLMNAFNTA
SCHEMBL7128049 0.77 MAPT (0.71) MEN1KMT2AMAPTLMNAFNTA
SCHEMBL8426449 0.76 BCHE (0.64) MEN1KMT2AMAPTLMNAFNTA
Phosphonic Acid SCHEMBL5566590 0.74 MEN1 (0.88) MEN1KMT2AMAPTLMNAFNTA
SCHEMBL8964062 0.74 MEN1 (0.71) MEN1KMT2AMAPTLMNAFNTA
SCHEMBL502507 0.73 MEN1 (0.81) MEN1KMT2AMAPTLMNAFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4225617-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1980-09-30 US disclosed
US-4209524-A CENTRAL NERVOUS SYSTEM LABORATOIRE L. LAFON (FR) 1980-06-24 US disclosed
US-4209523-A TREATMENT OF THE CENTRAL NERVOUS SYSTEM LABORATOIRE L. LAFON (FR) 1980-06-24 US disclosed
US-4183951-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1980-01-15 US disclosed
US-4152458-A CENTRAL NERVOUS SYSTEM, PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1979-05-01 US disclosed
US-4151300-A CENTRAL NERVOUS SYSTEM, PSYCHOTROPIC LABORATOIRE L. LAFON (FR) 1979-04-24 US disclosed
US-4122186-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1978-10-24 US disclosed