SCHEMBL9704067

SCHEMBL9704067

CCCCCCCCCCCC[n+]1c(C)ccc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
ALDH1A1 P00352 7/20 0.60
GAA P10253 4/20 0.60
HPGD P15428 2/20 0.60
MEN1 O00255 9/20 0.56
KMT2A Q03164 9/20 0.56
NPC1 O15118 6/20 0.56
ATM Q13315 2/20 0.56
SMN1; SMN2 Q16637 8/20 0.55
NPSR1 Q6W5P4 7/20 0.55
RAB9A P51151 6/20 0.55
LMNA P02545 6/20 0.55
HTT P42858 5/20 0.55
MAPK1 P28482 4/20 0.55
USP2 O75604 2/20 0.55
RAD52 P43351 2/20 0.55
RGS12 O14924 1/20 0.55
HSP90AA1 P07900 1/20 0.55
THRB P10828 1/20 0.55
MCL1 Q07820 1/20 0.55

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
SCHEMBL9603085 0.98 KDM4E (0.61) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL12194203 0.93 MEN1 (0.64) KDM4EALDH1A1GAAHPGDMEN1
Iodide SCHEMBL14740354 0.91 ALDH1A1 (0.65) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL31426897 0.86 MEN1 (0.61) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL13154142 0.86 MEN1 (0.61) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL8651550 0.81 MEN1 (0.83) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL2462923 0.81 MEN1 (0.83) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL3363229 0.81 MEN1 (0.83) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL9064445 0.81 MEN1 (0.83) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL8007458 0.79 MEN1 (0.86) KDM4EALDH1A1GAAHPGDMEN1

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-0520160-A1 Process for antimicrobial treatment of polyurethane BOC HEALTH CARE, Inc. (US) 1992-12-30 EP disclosed
US-4877617-A COATING WITH SOLUTION OF QUATERNARY AMMONIUM SALT OF ALGINIC ACID OR CMC IN REMOVABLE SOLVENT; HOUSEHOLDS, MEDICINE, INDUSTRY DAICEL CHEMICAL INDUSTRIES LTD. (JP) 1989-10-31 US disclosed
US-4617385-A THICKENERS, ANTISTATIC AGENTS DAICEL CHEMICAL INDUSTRIES LTD. (JP) 1986-10-14 US disclosed
EP-0170053-A2 Quaternary ammonium salts of carboxymethylcellulose DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1986-02-05 EP disclosed