SCHEMBL8714067

SCHEMBL8714067

CNc1ccc2c3c(cccc13)CC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.67
HPGD P15428 5/20 0.67
HSD17B10 Q99714 1/20 0.67
ALDH1A1 P00352 12/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
GAA P10253 3/20 0.61
POLB P06746 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ATM Q13315 1/20 0.61
LMNA P02545 4/20 0.57
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 6/20 0.53
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50

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
SCHEMBL31270892 0.80 ALDH1A1 (0.61) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL6628730 0.80 ALDH1A1 (0.61) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL27474385 0.79 HPGD (0.57) KDM4EHPGDHSD17B10ALDH1A1MEN1
Hydrochloric Acid SCHEMBL27157845 0.78 ALDH1A1 (0.59) KDM4EHPGDHSD17B10ALDH1A1MEN1
Hydrochloric Acid SCHEMBL29913261 0.78 ALDH1A1 (0.59) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL20021100 0.78 HPGD (0.44) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL8622634 0.77 LMNA (0.70) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL6155294 0.76 LMNA (0.60) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL8622181 0.76 ALDH1A1 (1.00) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL4981716 0.76 ALDH1A1 (0.56) KDM4EHPGDHSD17B10ALDH1A1MEN1

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