SCHEMBL8405088

SCHEMBL8405088

c1ccc2c(c1)CCN2c1ncco1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.54
TP53 P04637 3/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MKNK1 Q9BUB5 3/20 0.43
MKNK2 Q9HBH9 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.40
ALOX15 P16050 2/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SRD5A1 P18405 1/20 0.40

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
SCHEMBL29721693 0.74 ROCK1 (0.61) ROCK1TP53LMNAMAPK1NPC1
SCHEMBL3239758 0.74 ROCK1 (0.61) ROCK1TP53LMNAMAPK1NPC1
Hydrochloric Acid SCHEMBL27693256 0.73 ROCK1 (0.59) ROCK1TP53LMNAMAPK1NPC1
SCHEMBL1019181 0.71 NPC1 (0.49) ROCK1TP53LMNAMAPK1NPC1
SCHEMBL29721478 0.71 ROCK1 (0.62) ROCK1TP53LMNAMAPK1NPC1
SCHEMBL6071629 0.71 ROCK1 (0.62) ROCK1TP53LMNAMAPK1NPC1
SCHEMBL9377412 0.70 ROCK1 (1.00) ROCK1MKNK1MKNK2MAPK8MAPK9
SCHEMBL4971770 0.70 FAAH (0.35) ROCK1
SCHEMBL8121028 0.69 ROCK1 (0.55) ROCK1TP53LMNAMAPK1NPC1
SCHEMBL15831287 0.69 ROCK1 (0.55) ROCK1TP53LMNAMAPK1NPC1

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-5929227-A DNA FLUORESCENT STAINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-07-27 US disclosed
US-5760201-A Dimeric fluorescent energy transfer dyes comprising asymmetric cyanine azole-indolenine chromophores THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-06-02 US disclosed
US-5565554-A DNA-STAINING FLUORECENCENT DYES, USED IN GEL ELECTROPHORESIS AND FOR LABELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-10-15 US disclosed
WO-1996004405-A1 NOVEL DIMERIC FLUORESCENT ENERGY TRANSFER DYES COMPRISING ASYMMETRIC CYANINE AZOLE-INDOLENINE CHROMOPHORES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-02-15 WO disclosed