SCHEMBL8912193

SCHEMBL8912193

ClCCCC(=C1CCCCN1)c1cc(-c2ccccc2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HCRTR1 O43613 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CTSA P10619 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
WNT3A P56704 3/20 0.32
GAA P10253 2/20 0.32
MKNK1 Q9BUB5 1/20 0.31
HDAC1 Q13547 1/20 0.30
USP30 Q70CQ3 1/20 0.30
KDM4E B2RXH2 1/20 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
SCHEMBL8910431 0.75 ESR2 (0.35) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL8911057 0.72 ACHE (0.33) NPC1RAB9AKDM4E
SCHEMBL8912610 0.70 PDE4A (0.38) ALDH1A1HDAC1KDM4E
SCHEMBL8912125 0.69 HDAC1 (0.33) ALDH1A1MAPTSMN1; SMN2HDAC1
SCHEMBL8911116 0.63 PLAU (0.37) PLAUALDH1A1MEN1KMT2AMAPT
SCHEMBL3265125 0.61 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL28046856 0.60 KMO (0.50) PLAUCTSAHDAC1USP30
SCHEMBL27882253 0.60 EGFR (0.50) PLAUALDH1A1KMT2AMAPTCTSA
SCHEMBL725162 0.60 KMO (0.62) PLAUALDH1A1MAPTSMN1; SMN2HDAC1
SCHEMBL7524323 0.59 NPC1 (0.45) ALDH1A1MEN1KMT2AMAPTNPC1

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-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed