SCHEMBL30404708

SCHEMBL30404708

N=C(N)NC(=O)OC(=O)c1ccc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.39
THRB P10828 1/20 0.38
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.35
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
CYP1A2 P05177 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL1727352 0.78 ATM (0.46) POLBKDM1ARCOR1ATM
SCHEMBL9853987 0.77 RAB9A (0.49) SIRT2THRBRAB9ASMN1; SMN2GAA
SCHEMBL10187815 0.73 ALDH1A1 (0.50) RAB9ASMN1; SMN2GAANPC1KMT2A
Hydrochloric Acid SCHEMBL28479173 0.72 RAB9A (0.46) RAB9ASMN1; SMN2GAANPC1MEN1
SCHEMBL520445 0.70
Hydrochloric Acid SCHEMBL5729406 0.69
Hydrochloric Acid SCHEMBL6052939 0.69
Hydrochloric Acid SCHEMBL27993639 0.69 TSHR (0.48) RAB9ASMN1; SMN2GAANPC1MEN1
Ammonia Solution, Strong SCHEMBL28522761 0.69 RAB9A (0.46) RAB9ASMN1; SMN2GAANPC1MEN1
SCHEMBL16963065 0.68 RAB9A (0.61) SIRT2RAB9ASMN1; SMN2GAANPC1

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-109206570-B Flexible physical split-phase supermolecular dynamic polymer and application thereof 厦门天策材料科技有限公司 2023-04-25 CN claimed