SCHEMBL4433463

SCHEMBL4433463

CC(C)(C)N1CCN(c2ccc(Cl)cc2N)CC1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.69
ALDH1A1 P00352 7/20 0.61
KDM4E B2RXH2 4/20 0.61
LMNA P02545 3/20 0.61
HTT P42858 2/20 0.61
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 3/20 0.41
RAD52 P43351 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
GAA P10253 2/20 0.40
S100B P04271 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL4442551 0.82 MAPT (0.46) POLBALDH1A1KDM4ELMNAHTT
SCHEMBL360379 0.81 POLB (1.00) POLBALDH1A1KDM4ELMNAHTT
SCHEMBL16993915 0.81 ALDH1A1 (0.44) POLBALDH1A1KDM4ELMNAHTT
SCHEMBL16993892 0.81 ALDH1A1 (0.69) POLBALDH1A1KDM4ELMNAHTT
SCHEMBL360377 0.79 ALDH1A1 (0.93) POLBALDH1A1KDM4ELMNAHTT
SCHEMBL11296569 0.79 MAPT (0.66) POLBALDH1A1KDM4ELMNAHTT
SCHEMBL4445185 0.78 ALDH1A1 (0.64) POLBALDH1A1KDM4ELMNAHTT
SCHEMBL4443947 0.78 USP8 (0.46) POLBALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL30063002 0.78 ALDH1A1 (0.64) POLBALDH1A1KDM4ELMNAHTT
SCHEMBL358190 0.78 ALDH1A1 (0.96) POLBALDH1A1KDM4ELMNAHTT

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-3102193-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES Rutgers, The State University of New Jersey (US) 2016-12-14 EP disclosed
WO-2015120320-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-13 WO disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed