SCHEMBL2482196

SCHEMBL2482196

CCOCOc1ccc2nc(NC(=O)c3ccc(I)cn3)sc2c1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
MAPT P10636 11/20 0.55
ALDH1A1 P00352 5/20 0.55
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
TP53 P04637 7/20 0.51
KDM4E B2RXH2 4/20 0.51
GLA P06280 1/20 0.51
KMT2A Q03164 4/20 0.50
PKM P14618 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
OPRK1 P41145 1/20 0.50
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 2/20 0.48
USP2 O75604 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
POLB P06746 2/20 0.48

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
SCHEMBL2482199 1.00 MAPT (0.55) MAPTALDH1A1NPC1RAB9ATP53
Bromide SCHEMBL3351950 0.89 MAPT (0.62) MAPTALDH1A1NPC1RAB9ATP53
SCHEMBL2482226 0.88 NPC1 (0.57) MAPTALDH1A1NPC1RAB9ATP53
SCHEMBL2482227 0.88 NPC1 (0.57) MAPTALDH1A1NPC1RAB9ATP53
SCHEMBL3347454 0.86 NPC1 (0.57) MAPTALDH1A1NPC1RAB9ATP53
SCHEMBL3347446 0.86 NPC1 (0.57) MAPTALDH1A1NPC1RAB9ATP53
SCHEMBL2482202 0.83 MAPT (0.53) MAPTALDH1A1NPC1RAB9ATP53
SCHEMBL12199478 0.82 MAPT (0.60) MAPTALDH1A1NPC1RAB9ATP53
SCHEMBL2485981 0.81 MAPT (0.54) MAPTALDH1A1NPC1RAB9ATP53
Bromide SCHEMBL2484769 0.81 MAPT (0.59) MAPTALDH1A1NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376463-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA Bayer Pharma Aktiengesellschaft (DE) 2011-10-19 EP disclosed
WO-2010066357-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 WO disclosed