SCHEMBL9516547

SCHEMBL9516547

[O]C(=O)c1cnccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.46
GSK3A P49840 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
SLC22A12 Q96S37 1/20 0.45
RPS6KA3 P51812 1/20 0.45
CYP46A1 Q9Y6A2 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
BCAT2 O15382 1/20 0.44
KDM4C Q9H3R0 3/20 0.43
TNF P01375 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4D Q6B0I6 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL2222831 0.87 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AHTTSLC22A12
Hydrochloric Acid SCHEMBL7279409 0.85 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AHTTSLC22A12
SCHEMBL23846485 0.84 BCAT2 (0.61) ALDH1A1KMT2AHTTSLC22A12RPS6KA3
SCHEMBL27982333 0.81 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AHTTSLC22A12
SCHEMBL6927417 0.80 FGFR1 (0.58) ALDH1A1KMT2ACYP46A1KDM4EL3MBTL1
SCHEMBL10371575 0.80 KMT2A (0.65) ALDH1A1KMT2AHTTSLC22A12RPS6KA3
SCHEMBL27982332 0.80 KMT2A (0.50) ALDH1A1MAPTKMT2AHTTSLC22A12
SCHEMBL2749796 0.79 KDM4C (0.53) ALDH1A1MAPTKMT2ASLC22A12RPS6KA3
SCHEMBL28296099 0.79 SMN1; SMN2 (0.53) ALDH1A1MAPTKMT2ATDP1KDM4E
SCHEMBL2457558 0.78 HTT (0.52) ALDH1A1KMT2AHTTBCAT2SIRT3

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
EP-0209158-B1 Terpene amino alcohols and medicinal uses thereof KURARAY CO (JP) 1993-12-08 EP claimed