SCHEMBL7489462

SCHEMBL7489462

Cn1c(-c2cccs2)c(C(=O)O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.52
LMNA P02545 3/20 0.49
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 3/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AGTR1 P30556 2/20 0.45
HK1 P19367 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
SCHEMBL7487890 0.79 ALDH1A1 (0.70) EGFRLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7489307 0.75 ALDH1A1 (0.58) EGFRLMNAALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL7492490 0.74 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10MAPK1
Hydrochloric Acid SCHEMBL7492497 0.74 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10MAPK1
SCHEMBL7484373 0.74 ALDH1A1 (0.59) EGFRLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL28195443 0.74 LMNA (0.48) LMNAALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL7490399 0.73 HSD17B10 (0.54) LMNAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL27577897 0.73 ERCC1 (0.44) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL9183022 0.72 EGFR (0.54) EGFRALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL9181384 0.72 EGFR (0.54) EGFRALDH1A1KDM4ESMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1243268-A1 MEDICINAL COMPOSITION Nippon Shinyaku Co., Ltd. (JP) 2002-09-25 EP disclosed
EP-1156045-A1 AMIDE DERIVATIVES AND DRUG COMPOSITIONS Nippon Shinyaku Co., Ltd. (JP) 2001-11-21 EP disclosed