SCHEMBL6033443

SCHEMBL6033443

N=C(N)NCCC[C@H](N)C(=O)Nc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 2/20 0.50
EPHX1 P07099 1/20 0.49
HSD17B10 Q99714 3/20 0.47
GSK3B P49841 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPY5R Q15761 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.44
MC4R P32245 1/20 0.44
MC5R P33032 1/20 0.44
MC3R P41968 1/20 0.44
MC1R Q01726 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
CA12 O43570 1/20 0.43

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
SCHEMBL6033439 1.00 KDM4E (0.51) KDM4EGAAALDH1A1EPHX1HSD17B10
Hydrochloric Acid SCHEMBL10603453 0.99 KDM4E (0.50) KDM4EGAAALDH1A1EPHX1HSD17B10
Dl-Phenylalanine SCHEMBL26965744 0.91 MEN1 (0.50) KDM4EGAAALDH1A1EPHX1HSD17B10
SCHEMBL26108204 0.87 MEN1 (0.53) KDM4EALDH1A1HSD17B10GSK3BNPY5R
SCHEMBL14250016 0.83 CYP2C9 (0.46) NPY5RMAPTMEN1KMT2A
SCHEMBL16213504 0.83 KDM4E (0.48) KDM4EGAAALDH1A1EPHX1HSD17B10
SCHEMBL16213507 0.83 KDM4E (0.48) KDM4EGAAALDH1A1EPHX1HSD17B10
SCHEMBL7860945 0.82 MEN1 (0.51) KDM4EALDH1A1HSD17B10GSK3BNPY5R
SCHEMBL7860939 0.82 MEN1 (0.51) KDM4EALDH1A1HSD17B10GSK3BNPY5R
SCHEMBL7918402 0.82 MEN1 (0.51) KDM4EALDH1A1HSD17B10GSK3BNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230407243-A1 GENETIC PLATFORM TO INVESTIGATE THE FUNCTIONS OF BACTERIAL DRUG EFFLUX PUMPS UNIVERSITY OF GUELPH (CA) 2023-12-21 US disclosed
CN-101014363-A Vaccine for periodontal disease PFIZER PROD INC (US) 2007-08-08 CN disclosed
US-7033781-B1 Whole cell engineering by mutagenizing a substantial portion of a starting genome, combining mutations, and optionally repeating DIVERSA CORPORATION (US) 2006-04-25 US disclosed
US-20050124010-A1 Whole cell engineering by mutagenizing a substantial portion of a starting genome combining mutations and optionally repeating DIVERSA CORPORATION 2005-06-09 US disclosed
US-20040077090-A1 Whole cell engineering by mutagenizing a substantial portion of a starting genome, combining mutations, and optionally repeating SHORT JAY M (US) 2004-04-22 US disclosed
EP-1294869-A2 WHOLE CELL ENGINEERING BY MUTAGENIZING A SUBSTANTIAL PORTION OF A STARTING GENOME, COMBINING MUTATIONS, AND OPTIONALLY REPEATING DIVERSA CORPORATION (US) 2003-03-26 EP disclosed
WO-2001096551-A2 WHOLE CELL ENGINEERING BY MUTAGENIZING A SUBSTANTIAL PORTION OF A STARTING GENOME, COMBINING MUTATIONS, AND OPTIONALLY REPEATING DIVERSA CORPORATION (US) 2001-12-20 WO disclosed