SCHEMBL8561158

SCHEMBL8561158

CNCCCn1c(/C=C/c2ccsc2)cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
GRK2 P25098 1/20 0.35
RAB9A P51151 1/20 0.35
ALOX5 P09917 1/20 0.35
LMNA P02545 1/20 0.33
HTR2B P41595 1/20 0.33
TP53 P04637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
PIM3 Q86V86 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
NTRK3 Q16288 2/20 0.32
NTRK1 P04629 1/20 0.32
CNR2 P34972 1/20 0.32
MTNR1A P48039 1/20 0.32

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
SCHEMBL8561161 1.00 MAPT (0.35) MAPTTSHRMEN1KMT2ANPC1
SCHEMBL8562543 0.84 HDAC1 (0.39) MAPTTSHRMEN1KMT2ANPC1
SCHEMBL8562540 0.84 HDAC1 (0.39) MAPTTSHRMEN1KMT2ANPC1
SCHEMBL8561601 0.75 PPARA (0.36) MAPTTSHRNPC1RAB9ATP53
SCHEMBL8561604 0.75 PPARA (0.36) MAPTTSHRNPC1RAB9ATP53
SCHEMBL8561603 0.74 ALDH1A1 (0.34) MAPTTSHRMEN1KMT2ANPC1
SCHEMBL8561600 0.74 ALDH1A1 (0.34) MAPTTSHRMEN1KMT2ANPC1
SCHEMBL11552781 0.68 MTNR1A (0.59) KMT2AKDM4ENTRK3NTRK1MTNR1A
SCHEMBL9832588 0.68 ALDH1A1 (0.47) MAPTTSHRKMT2ANPC1RAB9A
SCHEMBL10405577 0.68 ALDH1A1 (0.47) MAPTTSHRKMT2ANPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0695755-B1 Pyrrolocarbazole HOFFMANN LA ROCHE (CH) 1998-10-21 EP disclosed
EP-0695755-A1 Pyrrolocarbazoles F. Hoffmann-La Roche AG (CH) 1996-02-07 EP disclosed