SCHEMBL3888093

SCHEMBL3888093

[N-]=[N+]=C1c2ccccc2-c2cc3ccccc3cc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 4/20 0.46
TSHR P16473 3/20 0.46
MAPK1 P28482 3/20 0.46
HPGD P15428 3/20 0.46
CASP1 P29466 3/20 0.46
HIF1A Q16665 3/20 0.46
TP53 P04637 2/20 0.46
CASP7 P55210 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
CYP1A2 P05177 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HBB P68871 1/20 0.31
CYP2A6 P11509 1/20 0.30
NQO2 P16083 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
SCHEMBL29394495 0.83 MEN1 (0.38) ALDH1A1HSD17B10TSHRMAPK1HIF1A
SCHEMBL482108 0.83 MEN1 (0.38) ALDH1A1HSD17B10TSHRMAPK1HIF1A
SCHEMBL9039265 0.78 ALDH1A1 (0.68) ALDH1A1HSD17B10TSHRMAPK1HPGD
SCHEMBL8994826 0.77 SMN1; SMN2 (0.33) ALDH1A1HSD17B10TSHRMAPK1HIF1A
SCHEMBL10425615 0.75 GPR3 (0.41) L3MBTL1CYP1A2CYP2A6
SCHEMBL10426587 0.75 S100A4 (0.52) ALDH1A1HSD17B10TSHRHPGDTP53
SCHEMBL9042905 0.72 ALDH1A1 (0.67) ALDH1A1HSD17B10TSHRMAPK1HPGD
SCHEMBL1154675 0.72 ALDH1A1 (0.67) ALDH1A1HSD17B10TSHRMAPK1HPGD
SCHEMBL1811522 0.72 ALDH1A1 (0.67) ALDH1A1HSD17B10TSHRMAPK1HPGD
SCHEMBL28763536 0.72 ALDH1A1 (0.67) ALDH1A1HSD17B10TSHRMAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009027838-A2 KINAMYCIN F FOR CANCER TREATMENT UNIVERSITY OF MANITOBA (US) 2009-03-05 WO disclosed
WO-2009019616-A2 ISOPREKINAMYCIN ANALOGS AND SYNTHESES THEREOF UNIVERSITY OF MANITOBA (US) 2009-02-12 WO disclosed
US-4002475-A CATIONIC POLYMER EASTMAN KODAK COMPANY (US) 1977-01-11 US disclosed