SCHEMBL8716478

SCHEMBL8716478

CNc1ccc2c3c(cccc13)C=C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
USP2 O75604 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
IDO1 P14902 1/20 0.44
HPGD P15428 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
SNCA P37840 1/20 0.33
MAPT P10636 3/20 0.32
PABPC1 P11940 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
EGFR P00533 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SLC40A1 Q9NP59 1/20 0.30
ALDH1A1 P00352 3/20 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
SCHEMBL29205327 0.83 PABPC1 (0.32) KEAP1NFE2L2USP2MEN1KMT2A
Hydrochloric Acid SCHEMBL29117340 0.81 PABPC1 (0.32) MEN1KMT2AHPGDPABPC1SMN1; SMN2
SCHEMBL29205328 0.79 ALDH1A1 (0.31) MEN1KMT2AHPGDMAPTPABPC1
SCHEMBL9868390 0.78 MEN1 (0.43) KEAP1NFE2L2USP2MEN1KMT2A
SCHEMBL9868384 0.78 MEN1 (0.43) KEAP1NFE2L2USP2MEN1KMT2A
Hydrochloric Acid SCHEMBL29117341 0.78 ALDH1A1 (0.31) MAPTPABPC1TDP1L3MBTL1ALDH1A1
SCHEMBL4981713 0.75 PABPC1 (0.32) PABPC1
SCHEMBL6155027 0.75 KDM4E (0.34) MEN1KMT2AHPGDKDM4EMAPT
Bromide SCHEMBL6154947 0.73 KDM4E (0.33) KMT2AHPGDKDM4EMAPTRAB9A
SCHEMBL8843195 0.72 KDM4E (0.40) HPGDKDM4EMAPTSMN1; SMN2RAB9A

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
US-5847006-A Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-12-08 US disclosed
EP-0746316-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 EP disclosed
EP-0746316-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-12-11 EP disclosed
WO-1995014467-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-06-01 WO disclosed