SCHEMBL10672974

SCHEMBL10672974

CCOC(=O)c1cn(CCO)c2cc(-n3cccc3)c(F)cc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.57
▸ KDM4E B2RXH2 5/20 0.57
▸ HSD17B10 Q99714 4/20 0.57
▸ HPGD P15428 4/20 0.57
▸ KMT2A Q03164 2/20 0.56
▸ CNR1 P21554 1/20 0.51
▸ CNR2 P34972 1/20 0.51
▸ LMNA P02545 2/20 0.46
▸ DRD3 P35462 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CYP2J2 P51589 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL10673718 0.93 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL10673419 0.93 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL10668228 0.91 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL10972617 0.91 KDM4E (0.68) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL10676124 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL10668575 0.86 HSD17B10 (0.58) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL10369898 0.85 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL10677225 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL11398510 0.83 KMT2A (0.60) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL12574517 0.83 KMT2A (0.60) ALDH1A1KDM4EHSD17B10HPGDKMT2A

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
US-4727080-A BACTERICIDES, FUNGICIDES PROVESAN S.A. (CH) 1988-02-23 — — US disclosed
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