SCHEMBL29177274

SCHEMBL29177274

NC(=O)Oc1ccc(N2CCCCC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UBE2T Q9NPD8 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPT P10636 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ AOC3 Q16853 2/20 0.46
▸ CNR2 P34972 5/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.44
▸ PARP1 P09874 2/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ABL1 P00519 1/20 0.40

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
SCHEMBL28284732 0.98 UBE2T (0.53) UBE2TALDH1A1MAPTLMNAALOX12
SCHEMBL29177328 0.95 UBE2T (0.49) UBE2TALDH1A1MAPTLMNAALOX12
SCHEMBL16712258 0.86 ALDH1A1 (0.48) UBE2TALDH1A1MAPTLMNAALOX12
SCHEMBL28940962 0.85 ALDH1A1 (0.55) ALDH1A1MAPTLMNAAOC3CNR2
SCHEMBL27711576 0.85 RAB9A (0.47) ALDH1A1KMT2AKDM4EPARP1L3MBTL1
SCHEMBL27526717 0.83 TRPV1 (0.47) UBE2TALDH1A1MAPTLMNAALOX12
SCHEMBL26633299 0.83 ADRA1A (0.43) UBE2TALDH1A1LMNAHSD17B10KDM4E
SCHEMBL29177247 0.82 CACNA1H (0.40) UBE2TALDH1A1HSD17B10
SCHEMBL29177386 0.80 POLB (0.44) ALDH1A1MAPTAOC3HSD17B10KDM4E
SCHEMBL29177213 0.79 ADRA1A (0.45) ALDH1A1MAPTLMNANPSR1KDM4E

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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