SCHEMBL9541766

SCHEMBL9541766

CCC(CC)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
ALDH1A1 P00352 6/20 0.55
HSD17B10 Q99714 2/20 0.55
RECQL P46063 1/20 0.55
CA1 P00915 2/20 0.53
CA12 O43570 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP14 P50281 1/20 0.53
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
KCNH3 Q9ULD8 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46

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
SCHEMBL6671268 0.90 MAPT (0.53) MAPTALDH1A1HSD17B10RECQLCA1
SCHEMBL6573912 0.90 MAPT (0.53) MAPTALDH1A1HSD17B10RECQLCA1
SCHEMBL6570551 0.90 MAPT (0.53) MAPTALDH1A1HSD17B10RECQLCA1
SCHEMBL6366310 0.89 MAPT (0.51) MAPTALDH1A1HSD17B10RECQLCA1
SCHEMBL4617844 0.86 MAPT (0.57) MAPTALDH1A1HSD17B10RECQLCA1
SCHEMBL28142388 0.84 ALDH1A1 (0.64) MAPTALDH1A1HSD17B10RECQLCA1
SCHEMBL6003995 0.82 MAPT (0.45) MAPTALDH1A1HSD17B10RECQLCA1
SCHEMBL9362332 0.82 MAPT (0.45) MAPTALDH1A1HSD17B10RECQLCA1
SCHEMBL3866264 0.81 CA12 (0.57) MAPTALDH1A1HSD17B10RECQLCA1
SCHEMBL5119014 0.80 MAPT (0.50) MAPTALDH1A1HSD17B10RECQLCA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574094-B Indolone derivatives and pharmaceutical use thereof 成都大学 2022-07-01 CN disclosed
CN-112574094-A Indolone derivatives and pharmaceutical use thereof 成都大学 2021-03-30 CN disclosed
WO-1993010119-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-05-27 WO disclosed
EP-0542497-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1993-05-19 EP disclosed