SCHEMBL3660037

SCHEMBL3660037

O=c1[nH]c(-c2cc(Cl)ccc2OP(=O)([O-])[O-])nc2ccc(Cl)cc12.[Na+].[Na+]

nearest known ligand 0.48

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 2/20 0.42
TUBB known ✓ P07437 2/20 0.42
TUBA3C known ✓ P0DPH7 2/20 0.42
TUBA1B known ✓ P68363 2/20 0.42
TUBA4A known ✓ P68366 2/20 0.42
TUBB4B known ✓ P68371 2/20 0.42
TUBB3 known ✓ Q13509 2/20 0.42
TUBB2A known ✓ Q13885 2/20 0.42
TUBB8 known ✓ Q3ZCM7 2/20 0.42
TUBA3E known ✓ Q6PEY2 2/20 0.42
TUBA1A known ✓ Q71U36 2/20 0.42
TUBA1C known ✓ Q9BQE3 2/20 0.42
TUBB6 known ✓ Q9BUF5 2/20 0.42
TUBB2B known ✓ Q9BVA1 2/20 0.42
TUBB1 known ✓ Q9H4B7 2/20 0.42
GUSB P08236 5/20 0.48
TNKS O95271 2/20 0.46
TNKS2 Q9H2K2 2/20 0.46
PARP1 P09874 2/20 0.46
CYP1A1 P04798 1/20 0.43

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
SCHEMBL1232936 0.88 TNKS (0.49) GUSBTNKSTNKS2PARP1CYP1A1
SCHEMBL29351150 0.88 TNKS (0.49) GUSBTNKSTNKS2PARP1CYP1A1
SCHEMBL3660038 0.87 TNKS (0.48) GUSBTNKSTNKS2PARP1CYP1A1
Ammonia Solution, Strong SCHEMBL9010745 0.87 TNKS (0.48) GUSBTNKSTNKS2PARP1CYP1A1
SCHEMBL13953178 0.83 AMY1A (0.57) GUSBTNKSTNKS2PARP1CYP1A1
Phosphoric Acid SCHEMBL3660043 0.82 GUSB (0.52) GUSBTNKSTNKS2PARP1KDM4E
SCHEMBL1461063 0.81 GUSB (0.51) GUSBTNKSTNKS2PARP1CYP1A1
Phosphoric Acid SCHEMBL3660034 0.81 GUSB (0.51) GUSBTNKSTNKS2PARP1KDM4E
SCHEMBL3657188 0.81 TNKS (0.43) GUSBTNKSTNKS2PARP1CYP1A1
SCHEMBL13053383 0.81 TNKS (0.43) GUSBTNKSTNKS2PARP1CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100291591-A1 NOVEL PLATING MEDIA Life Technologies Corporation (US) 2010-11-18 US claimed
EP-2209906-A2 NOVEL PLATING MEDIA Life Technologies Corporation (US) 2010-07-28 EP claimed
WO-2009061733-A2 NOVEL PLATING MEDIA INVITROGEN CORPORATION (US) 2009-05-14 WO claimed
US-20100291591-A1 NOVEL PLATING MEDIA Life Technologies Corporation (US) 2010-11-18 US disclosed
EP-2209906-A2 NOVEL PLATING MEDIA Life Technologies Corporation (US) 2010-07-28 EP disclosed
WO-2009061733-A2 NOVEL PLATING MEDIA INVITROGEN CORPORATION (US) 2009-05-14 WO disclosed