SCHEMBL4861650

SCHEMBL4861650

CCCCN(CCCC)c1ccc(N(c2ccc(N(CCCC)CCCC)cc2)c2ccc(N(c3ccc(N(CCCC)CCCC)cc3)c3ccc(N(CCCC)CCCC)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.50

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
EGFR known ✓ P00533 1/20 0.40
ERBB2 known ✓ P04626 1/20 0.40
CNR2 P34972 9/20 0.50
MCHR1 Q99705 1/20 0.44
CNR1 P21554 3/20 0.42
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2C9 P11712 2/20 0.40
LMNA P02545 1/20 0.40
ALB P02768 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL14240058 0.91 EGFR (0.45) CNR2ALDH1A1CYP2C9EGFRERBB2
SCHEMBL10953695 0.85 CNR2 (0.54) CNR2MCHR1CNR1ALDH1A1TSHR
SCHEMBL17660036 0.84 EGFR (0.42) CNR2MCHR1ALDH1A1EGFRERBB2
SCHEMBL17660030 0.84 EGFR (0.42) CNR2MCHR1ALDH1A1EGFRERBB2
SCHEMBL17660035 0.84 EGFR (0.42) CNR2MCHR1ALDH1A1EGFRERBB2
SCHEMBL15682788 0.84 EGFR (0.42) CNR2MCHR1ALDH1A1EGFRERBB2
SCHEMBL5874555 0.83 MCHR1 (0.58) CNR2MCHR1PSEN1PSEN2APH1B
SCHEMBL17705087 0.82 POLB (0.50) CNR2ALDH1A1CYP2C9EGFRERBB2
SCHEMBL16566787 0.82 POLB (0.50) CNR2ALDH1A1CYP2C9EGFRERBB2
Hexane SCHEMBL7122950 0.81 MCHR1 (0.53) CNR2MCHR1ALDH1A1CYP2C9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496375-B1 Composition for optical film comprising a near-infrared absorbing dye and a quencher ASAHI GLASS CO LTD (JP) 2008-10-15 EP disclosed
US-7332257-B2 Composition for optical film, and optical film ASAHI GLASS COMPANY, LIMITED (JP) 2008-02-19 US disclosed
US-20050008969-A1 Composition for optical film, and optical film ASAHI GLASS COMPANY, LIMITED (JP) 2005-01-13 US disclosed
EP-1496375-A2 Composition for optical film comprising a near-infrared absorbing dye and a quencher Asahi Glass Co., Ltd. (JP) 2005-01-12 EP disclosed