SCHEMBL23656830

SCHEMBL23656830

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc2nccnc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARHGEF12 Q9NZN5 1/20 0.69
CTSL P07711 2/20 0.56
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
GAA P10253 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
RGS12 O14924 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.54
TACR1 P25103 2/20 0.52
HDAC3 O15379 3/20 0.52
HDAC4 P56524 3/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC11 Q96DB2 3/20 0.52

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
SCHEMBL20175987 0.82 ARHGEF12 (1.00) ARHGEF12GAAMEN1KMT2AALDH1A1
SCHEMBL19665210 0.82 ARHGEF12 (1.00) ARHGEF12GAAMEN1KMT2AALDH1A1
SCHEMBL29372342 0.82 ARHGEF12 (1.00) ARHGEF12GAAMEN1KMT2AALDH1A1
SCHEMBL17603571 0.82 ARHGEF12 (1.00) ARHGEF12GAAMEN1KMT2AALDH1A1
SCHEMBL15936925 0.82 ARHGEF12 (1.00) ARHGEF12GAAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL31717447 0.81 ARHGEF12 (0.98) ARHGEF12GAAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL29557944 0.81 ARHGEF12 (0.98) ARHGEF12GAAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL29557889 0.81 ARHGEF12 (0.98) ARHGEF12GAAMEN1KMT2AALDH1A1
SCHEMBL9025972 0.76 CTSL (0.76) CTSLCTSSCTSKMAPTSMN1; SMN2
SCHEMBL14300166 0.76 CTSL (0.76) CTSLCTSSCTSKMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021146343-A1 PLATELET STORAGE METHODS AND COMPOSITIONS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2021-07-22 WO disclosed