SCHEMBL28847447

SCHEMBL28847447

CC(c1ccc([N+](=O)[O-])c(N)c1)C(C(N)=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.43
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 2/20 0.41
SIRT6 Q8N6T7 1/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
AVPR1A P37288 1/20 0.38
KMT2A Q03164 1/20 0.38
RECQL P46063 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
SCHEMBL28847456 0.91 NPC1 (0.46) MAPTALDH1A1KDM4EPKMNPC1
SCHEMBL28847449 0.88 MAPT (0.41) MAPTALDH1A1KDM4EPKMNPC1
SCHEMBL28847473 0.85 AAK1 (0.41) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28847499 0.81 ALDH1A1 (0.37) MAPTALDH1A1KDM4EPKMNPC1
SCHEMBL28847388 0.81 MAPT (0.41) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL28847474 0.74 ALDH1A1 (0.36) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL28847446 0.74 AAK1 (0.44) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL28847454 0.74 ALDH1A1 (0.38) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL28847439 0.74 TDP1 (0.50) MAPTALDH1A1SIRT6LMNAMEN1
SCHEMBL29947157 0.74 TDP1 (0.50) MAPTALDH1A1SIRT6LMNAMEN1

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-115087655-A Benzimidazole derivatives 辉瑞公司 2022-09-20 CN disclosed