SCHEMBL9685830

SCHEMBL9685830

[CH2]CC1=CC(=O)c2ccccc2C1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NSD2 O96028 1/20 0.51
CDC25B P30305 3/20 0.50
PKM P14618 3/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
MAPK1 P28482 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
IDO1 P14902 2/20 0.50
CDC25A P30304 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PLIN1 O60240 2/20 0.50
MAOA P21397 2/20 0.50
BLM P54132 2/20 0.50
PLIN5 Q00G26 2/20 0.50
ABHD5 Q8WTS1 2/20 0.50
NR1I2 O75469 1/20 0.50

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
SCHEMBL5810776 0.83 PARK7 (0.58) PTPN1MEN1KMT2AL3MBTL1NSD2
SCHEMBL597656 0.79 MEN1 (0.56) PTPN1MEN1KMT2AL3MBTL1NSD2
SCHEMBL25834727 0.79 BACE1 (0.52) PTPN1MEN1KMT2AL3MBTL1NSD2
SCHEMBL7912021 0.79 PTPN1 (0.52) PTPN1MEN1KMT2AL3MBTL1NSD2
SCHEMBL3275939 0.79 PTPN1 (0.52) PTPN1MEN1KMT2AL3MBTL1NSD2
SCHEMBL29525396 0.79 MEN1 (0.56) PTPN1MEN1KMT2AL3MBTL1NSD2
SCHEMBL10446630 0.79 PTPN1 (0.52) PTPN1MEN1KMT2AL3MBTL1NSD2
SCHEMBL4197326 0.79 PTPN1 (0.52) PTPN1MEN1KMT2AL3MBTL1NSD2
SCHEMBL1140705 0.79 MEN1 (0.47) PTPN1MEN1KMT2AL3MBTL1NSD2
Hydrochloric Acid SCHEMBL4110169 0.78 MEN1 (0.50) PTPN1MEN1KMT2AL3MBTL1NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145975-A Parasiticides THE ROCKEFELLER UNIVERSITY (US) 1992-09-08 US disclosed
US-4942170-A PARASITICIDES, ANTIPROTOZOA AGENTS THE ROCKEFELLER UNIVERSITY (US) 1990-07-17 US disclosed
EP-0355279-A2 Use of nitrogen-containing compounds as antiparasitics, and compositions containing them DRUG & VACCINE DEVELOPMENT CORPORATION (US) 1990-02-28 EP disclosed