SCHEMBL9744116

SCHEMBL9744116

CCN(CCOCCOCCOC)c1ccc(N)c(C)c1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.46

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
S100B P04271 1/20 0.46
POLB P06746 1/20 0.36
GRK2 P25098 1/20 0.36
DNMT1 P26358 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
CNR2 P34972 8/20 0.34
CNR1 P21554 5/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
MAPK1 P28482 2/20 0.34
KMT2A Q03164 2/20 0.34
CA2 P00918 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32

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
SCHEMBL11510052 1.00 S100B (0.46) S100BPOLBGRK2DNMT1CTDSP1
SCHEMBL9743279 1.00 S100B (0.46) S100BPOLBGRK2DNMT1CTDSP1
SCHEMBL2137159 0.94 S100B (0.50) S100BPOLBGRK2DNMT1CTDSP1
SCHEMBL7719548 0.94 S100B (0.50) S100BPOLBGRK2DNMT1CTDSP1
SCHEMBL11732595 0.93 S100B (0.47) S100BPOLBGRK2DNMT1CTDSP1
SCHEMBL8757920 0.91 S100B (0.49) S100BPOLBGRK2DNMT1CTDSP1
SCHEMBL6470585 0.86 S100B (0.62) S100BLMNAMEN1MAPK1KMT2A
SCHEMBL6470613 0.86 S100B (0.62) S100BLMNAMEN1MAPK1KMT2A
SCHEMBL9659187 0.86 S100B (0.62) S100BLMNAMEN1MAPK1KMT2A
SCHEMBL11384718 0.86 S100B (0.62) S100BLMNAMEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5100773-A Yellow coupler with good dispersion stability KONICA CORPORATION (JP) 1992-03-31 US disclosed
US-4205990-A COLOR PHOTOGRAPHY, SILVER HALIDE EMULSION DEVELOPMENT KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1980-06-03 US disclosed
US-4134766-A COLOR PHOTOGRAPHY, PHENOL COUPLER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1979-01-16 US disclosed