SCHEMBL11348161

SCHEMBL11348161

NC(=S)NN1CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
CDK4 P11802 1/20 0.42
ALOX15 P16050 1/20 0.42
CCND1 P24385 1/20 0.42
MGLL Q99685 1/20 0.41
MAPT P10636 2/20 0.41
NOTUM Q6P988 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL5120536 0.84 NOTUM (0.50) SIGMAR1LMNAGAAALDH1A1KMT2A
SCHEMBL4984050 0.83 SIGMAR1 (0.51) SIGMAR1LMNAALDH1A1KMT2AMEN1
SCHEMBL11644046 0.78 NOTUM (0.47) CDK4CCND1NOTUM
SCHEMBL11408052 0.78 BCAT2 (0.48) ALDH1A1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL7126729 0.77 ALDH1A1 (0.51) LMNAGAAALDH1A1KMT2AMEN1
SCHEMBL29985725 0.77 ALDH1A1 (0.51) LMNAGAAALDH1A1KMT2AMEN1
SCHEMBL31488059 0.76 NOTUM (0.57) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL5698473 0.76 ALDH1A1 (0.48) SIGMAR1LMNAGAAALDH1A1KMT2A
SCHEMBL1716131 0.75 SMN1; SMN2 (0.56) SIGMAR1GAAALDH1A1KMT2AMEN1
SCHEMBL11640812 0.75 SIGMAR1 (0.50) SIGMAR1LMNAALDH1A1KMT2AMEN1

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
CN-117586170-B Indolinyl acyl derivative and synthetic method of isoquinoline formyl derivative 江苏集萃分子工程研究院有限公司 2024-04-09 CN disclosed
CN-117586170-A Indolinyl acyl derivative and synthetic method of isoquinoline formyl derivative 江苏集萃分子工程研究院有限公司 2024-02-23 CN disclosed
EP-0000151-B1 1-SUBSTITUTED AMINOINDOLINES, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANDOZ AG (CH) 1981-05-20 EP disclosed
EP-0000151-A1 1-Substituted aminoindolines, process for their production and pharmaceutical compositions containing them SANDOZ AG (CH) 1979-01-10 EP disclosed