SCHEMBL7467683

SCHEMBL7467683

[c]1cccc(-c2cccc3ccccc23)c1-c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
ALDH1A1 P00352 8/20 0.37
MAPT P10636 6/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
RAB9A P51151 3/20 0.37
BLM P54132 1/20 0.37
KDM4E B2RXH2 6/20 0.36
HPGD P15428 5/20 0.36
LMNA P02545 3/20 0.36
GAA P10253 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
RPS6KB2 Q9UBS0 1/20 0.35
RORC P51449 1/20 0.35
RORB Q92753 1/20 0.35
NPC1 O15118 2/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3176511 0.80 LTA4H (0.40) ALDH1A1MAPTL3MBTL1RAB9AKDM4E
SCHEMBL669469 0.80 CYP2A6 (0.40) ALDH1A1MAPTL3MBTL1KDM4EHPGD
SCHEMBL14461193 0.79 PIM1 (0.50) PIM1ALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL18258983 0.79 CYP2A6 (0.39) ALDH1A1MAPTL3MBTL1KDM4EHPGD
SCHEMBL73268 0.78 PIM1 (0.49) PIM1ALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL2393866 0.78 ALDH1A1 (0.48) ALDH1A1MAPTL3MBTL1RAB9AKDM4E
SCHEMBL7330146 0.77 PIM1 (0.48) PIM1ALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL668822 0.76 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1KDM4EHPGD
SCHEMBL7657623 0.73 PIM1 (0.42) PIM1ALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL28724197 0.73 PIM1 (0.43) PIM1ALDH1A1MAPTL3MBTL1RAB9A

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-1244617-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE Ortho-McNeil Pharmaceutical, Inc. (US) 2002-10-02 EP claimed
WO-2001047875-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-07-05 WO claimed
EP-1244617-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE Ortho-McNeil Pharmaceutical, Inc. (US) 2002-10-02 EP disclosed
WO-2001047875-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-07-05 WO disclosed