SCHEMBL29177386

SCHEMBL29177386

NC(=O)Oc1cnc(N2CCCCC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 2/20 0.41
▸ AOC3 Q16853 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ ACACB O00763 2/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL29224913 0.95 ALDH1A1 (0.40) POLBSMN1; SMN2ALDH1A1MAPTAOC3
SCHEMBL186136 0.85 ALDH1A1 (0.46) POLBSMN1; SMN2ALDH1A1MAPTAOC3
SCHEMBL28941048 0.84 POLB (0.58) POLBALDH1A1AOC3KDM4EPTPN11
SCHEMBL184999 0.83 ALDH1A1 (0.47) POLBSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL29177274 0.80 UBE2T (0.51) POLBSMN1; SMN2ALDH1A1MAPTAOC3
SCHEMBL28284732 0.78 UBE2T (0.53) POLBSMN1; SMN2ALDH1A1MAPTAOC3
SCHEMBL4790004 0.77 POLB (0.49) POLBSMN1; SMN2ALDH1A1MAPTAOC3
SCHEMBL29177455 0.76 JAK2 (0.41) ALDH1A1MAPTTP53MAPK1ACACB
SCHEMBL20917117 0.75 POLB (0.50) POLBSMN1; SMN2ALDH1A1MAPTAOC3
SCHEMBL29177328 0.74 UBE2T (0.49) POLBALDH1A1MAPTAOC3KDM4E

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-117242060-A Isoindolinone compounds 蒙特罗萨医疗公司 2023-12-15 — — CN disclosed
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