SCHEMBL11092008

SCHEMBL11092008

CC(C)NCCCC1(C(=O)N(C)C)c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.35
APEX1 P27695 1/20 0.34
MTTP P55157 1/20 0.33

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
Indecainide SCHEMBL121202 0.84 KDM4E (0.42) KDM4EALDH1A1TDP1APEX1
SCHEMBL11090876 0.83 KDM4E (0.41) KDM4EALDH1A1TDP1MTTP
Indecainide SCHEMBL11086669 0.83 KDM4E (0.41) KDM4EALDH1A1TDP1APEX1MTTP
Indecainide SCHEMBL29397898 0.83 KDM4E (0.41) KDM4EALDH1A1TDP1APEX1
Indecainide SCHEMBL121201 0.83 KDM4E (0.41) KDM4EALDH1A1TDP1APEX1
Hydrochloric Acid SCHEMBL11090502 0.82 KDM4E (0.41) KDM4EALDH1A1TDP1MTTP
Indecainide SCHEMBL1649456 0.82 KDM4E (0.41) KDM4EALDH1A1TDP1APEX1MTTP
Indecainide SCHEMBL11078673 0.81 KDM4E (0.43) KDM4EALDH1A1TDP1APEX1MTTP
SCHEMBL11091509 0.80 ALDH1A1 (0.42) KDM4EALDH1A1TDP1MTTP
SCHEMBL11478909 0.77 MTTP (0.44) KDM4EALDH1A1MTTP

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
EP-0038676-B1 PROCESS FOR PREPARING FLUORENE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-10-17 EP disclosed
US-4452745-A ANTIARRHYTHMIA AGENTS ELI LILLY AND COMPANY (US) 1984-06-05 US disclosed
US-4382093-A 9-Aminoalkylfluorenes ELI LILLY AND COMPANY (US) 1983-05-03 US disclosed
EP-0038676-A1 Process for preparing fluorene derivatives ELI LILLY AND COMPANY (US) 1981-10-28 EP disclosed
US-4282170-A CHEMICAL INTERMEDIATES 9-AMINOALKYL-9-CARBAMOYL-FLUORENES ELI LILLY AND COMPANY (US) 1981-08-04 US disclosed
US-4277495-A FLUORENE 9-AMINOALKYL-9-CARBOXYLIC ACIDS OR ESTERS ELI LILLY AND COMPANY (US) 1981-07-07 US disclosed