SCHEMBL28326440

SCHEMBL28326440

CC(N)NC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 3/20 0.54
RAB9A P51151 2/20 0.54
HPGD P15428 2/20 0.54
LMNA P02545 4/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC3 O15379 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
IDO1 P14902 1/20 0.50
ALOX15 P16050 1/20 0.50
CA9 Q16790 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
Hydrochloric Acid SCHEMBL3683842 0.98 SLC1A2 (0.58) SLC1A2SMN1; SMN2ALDH1A1RAB9AHPGD
SCHEMBL11362315 0.93 RAB9A (0.66) SLC1A2SMN1; SMN2ALDH1A1RAB9AHPGD
SCHEMBL7880196 0.83 PKM (0.50) SLC1A2ALDH1A1RAB9AKMT2ACA12
SCHEMBL12262967 0.83 SLC1A2 (0.63) SLC1A2SMN1; SMN2ALDH1A1RAB9AHPGD
SCHEMBL29772431 0.83 MLYCD (0.58) SLC1A2SMN1; SMN2ALDH1A1RAB9AHPGD
SCHEMBL24998749 0.83 MLYCD (0.58) SLC1A2SMN1; SMN2ALDH1A1RAB9AHPGD
SCHEMBL27529872 0.83 SLC1A2 (0.63) SLC1A2SMN1; SMN2ALDH1A1RAB9AHPGD
SCHEMBL9783640 0.83 HDAC1 (0.60) SLC1A2SMN1; SMN2ALDH1A1RAB9AHPGD
SCHEMBL155518 0.83 MLYCD (0.58) SLC1A2SMN1; SMN2ALDH1A1RAB9AHPGD
SCHEMBL2446701 0.81 SMN1; SMN2 (0.61) SLC1A2SMN1; SMN2ALDH1A1RAB9AHPGD

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
CN-105143328-B Polymer material 嘉洛斯控股有限公司 2019-11-05 CN disclosed