SCHEMBL9824652

SCHEMBL9824652

O=C1Cc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc2N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
TSHR P16473 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
LMNA P02545 2/20 0.63
MAPK1 P28482 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
NPC1 O15118 1/20 0.61
MAPK14 Q16539 2/20 0.58
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
PKM P14618 1/20 0.56
SIGMAR1 Q99720 1/20 0.54
PRKAB2 O43741 1/20 0.53
PRKAG1 P54619 1/20 0.53
PRKAA2 P54646 1/20 0.53
PRKAA1 Q13131 1/20 0.53
PRKAG3 Q9UGI9 1/20 0.53
PRKAG2 Q9UGJ0 1/20 0.53
PRKAB1 Q9Y478 1/20 0.53

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
SCHEMBL11040553 0.90 MEN1 (0.62) MEN1KMT2ATSHRSMN1; SMN2LMNA
SCHEMBL9825269 0.88 CRBN (0.58) MEN1KMT2ATSHRSMN1; SMN2LMNA
SCHEMBL9825127 0.86 GRIN2B (0.66) KMT2AMAPK1ALDH1A1
SCHEMBL9824610 0.84 KMT2A (0.61) MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL10682283 0.84 GRIN2B (0.64) KMT2AMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL10682276 0.84 GRIN2B (0.64) KMT2AMAPK1ALDH1A1
SCHEMBL20476353 0.83 CRBN (0.49)
SCHEMBL23143520 0.83 GRIN1 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1CA12
SCHEMBL29899541 0.83 GRIN1 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1CA12
Hydrochloric Acid SCHEMBL11044707 0.83 MEN1 (0.59) MEN1KMT2ATSHRSMN1; SMN2LMNA

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
EP-0168003-B1 OXINDOL COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-04-03 EP disclosed
US-4737501-A Substituted piperazinyl oxindol compounds and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-04-12 US disclosed
EP-0168003-A1 Oxindol compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-01-15 EP disclosed