SCHEMBL6077207

SCHEMBL6077207

CCCCN(CCCC)CCCNC(=O)NCc1cccs1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
KMT2A Q03164 3/20 0.51
HPGD P15428 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
NR1I3 Q14994 1/20 0.46
TP53 P04637 1/20 0.44

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
SCHEMBL6077347 0.91 LMNA (0.55) LMNAKMT2AHPGDALDH1A1MEN1
SCHEMBL6078071 0.82 ALDH1A1 (0.71) LMNAKMT2AHPGDALDH1A1MEN1
SCHEMBL6078444 0.80 LMNA (0.60) LMNAKMT2AHPGDALDH1A1MEN1
SCHEMBL14142610 0.78 LMNA (0.80) LMNAKMT2AHPGDALDH1A1MEN1
SCHEMBL6076056 0.78 ALDH1A1 (0.58) LMNAKMT2AHPGDALDH1A1MEN1
SCHEMBL6077138 0.78 LMNA (0.65) LMNAKMT2AHPGDALDH1A1MEN1
SCHEMBL6077390 0.78 ACKR3 (0.45) LMNAKMT2AALDH1A1MEN1MAPT
SCHEMBL21525430 0.77 EPHX1 (0.61) ALDH1A1
SCHEMBL6075612 0.76 ALDH1A1 (0.58) LMNAKMT2AHPGDALDH1A1MEN1
SCHEMBL14559633 0.75 ADAM17 (0.57) LMNAALDH1A1MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098247-B2 Arylene-carboxylic acid (2-amino-phenyl)-amide derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-29 US disclosed