SCHEMBL28359754

SCHEMBL28359754

CC(=O)OC1(N)C=CC(c2ccc(N)cc2)=CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
ALDH1A1 P00352 1/20 0.30
ESR1 P03372 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30

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
SCHEMBL30089441 0.80 TDP1 (0.32) ALDH1A1
SCHEMBL27519669 0.77 TSHR (0.33)
SCHEMBL29488303 0.72 ALDH1A1 (0.41) ALDH1A1
SCHEMBL2403790 0.72 CYP3A4 (0.40) CYP19A1ALDH1A1HSD17B10
Hydrazine SCHEMBL28528440 0.72 MMP1 (0.32) ALDH1A1HSD17B10
SCHEMBL30010410 0.72 CYP3A4 (0.36) ALDH1A1HSD17B10
SCHEMBL2543904 0.72 CYP3A4 (0.36) CYP19A1ALDH1A1HSD17B10
SCHEMBL29214248 0.70 NPC1 (0.38) CYP19A1ALDH1A1
Hydrochloric Acid SCHEMBL29144452 0.70 CYP3A4 (0.34) ALDH1A1HSD17B10
SCHEMBL28369184 0.69 ALDH1A1 (0.33) ALDH1A1

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-107524754-B Torsional vibration damper 本田技研工业株式会社 2020-02-14 CN disclosed