SCHEMBL21141304

SCHEMBL21141304

CC(CCN)NC(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.69
KMT2A Q03164 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MEN1 O00255 2/20 0.64
HTT P42858 1/20 0.64
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
ALDH1A1 P00352 3/20 0.59
HSP90AA1 P07900 1/20 0.56
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.49
SLC1A2 P43004 1/20 0.47

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
SCHEMBL6097041 0.86 RAB9A (0.63) HPGDKMT2ASMN1; SMN2MEN1HTT
SCHEMBL6097043 0.86 RAB9A (0.63) HPGDKMT2ASMN1; SMN2MEN1HTT
SCHEMBL28243626 0.84 HPGD (0.71) HPGDKMT2ASMN1; SMN2MEN1HTT
SCHEMBL28243627 0.84 HPGD (0.71) HPGDKMT2ASMN1; SMN2MEN1HTT
SCHEMBL1003282 0.84 RAB9A (0.82) HPGDKMT2ASMN1; SMN2MEN1HTT
SCHEMBL21141309 0.83 HTT (0.57) HPGDKMT2ASMN1; SMN2MEN1HTT
SCHEMBL21141312 0.83 ALDH1A1 (0.74) HPGDKMT2ASMN1; SMN2MEN1HTT
SCHEMBL13753786 0.83 HPGD (0.65) HPGDKMT2ASMN1; SMN2MEN1HTT
SCHEMBL8527616 0.83 HPGD (0.69) HPGDKMT2ASMN1; SMN2MEN1HTT
SCHEMBL29137460 0.82 RAB9A (0.67) HPGDKMT2ASMN1; SMN2MEN1HTT

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
US-10646850-B2 Material for blood purification TORAY INDUSTRIES, INC. (JP) 2020-05-12 US disclosed
US-20190184371-A1 MATERIAL FOR BLOOD PURIFICATION TORAY INDUSTRIES, INC. (JP) 2019-06-20 US disclosed