SCHEMBL20978166

SCHEMBL20978166

Oc1nc(Cl)cc2c1CCCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
PPARG P37231 2/20 0.33
RXRG P48443 2/20 0.33
PPARA Q07869 2/20 0.33
PPARD Q03181 1/20 0.33
ACHE P22303 4/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SOS1 Q07889 1/20 0.32
ALOX5 P09917 1/20 0.30

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
SCHEMBL903598 0.79 BCL2L1 (0.38) SMN1; SMN2BCL2L1BADMEN1KMT2A
SCHEMBL31401385 0.79 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ARXRARXRB
SCHEMBL903596 0.79 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ARXRARXRB
SCHEMBL23860824 0.76 NOS3 (0.46) SMN1; SMN2MEN1KMT2AACHEMAPT
SCHEMBL30133422 0.76 NOS3 (0.46) SMN1; SMN2MEN1KMT2AACHEMAPT
SCHEMBL25238832 0.75 SMN1; SMN2 (0.38) SMN1; SMN2RXRARXRBPPARGRXRG
SCHEMBL25433645 0.72 ACHE (0.39) SMN1; SMN2ACHEALDH1A1BCHECHRM1
SCHEMBL30667978 0.72 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1MAPTALOX15
SCHEMBL30496070 0.72 ACHE (0.39) SMN1; SMN2ACHEALDH1A1BCHECHRM1
SCHEMBL26684739 0.72 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1MAPTALOX15

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-3480198-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2021-05-05 EP disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 EP disclosed