SCHEMBL8554000

SCHEMBL8554000

Cc1ccnc(N2CCN(C(=O)Cc3c(C)n4c5c(cc([N+](=O)[O-])cc35)CCC4)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
POLB P06746 1/20 0.40
PARP1 P09874 1/20 0.40
KDM4E B2RXH2 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 4/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPK1 P28482 1/20 0.36
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
CPT1B Q92523 1/20 0.36
MAPT P10636 1/20 0.34

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
SCHEMBL8556392 0.86 ALOX5 (0.59) ALOX5PARP1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8558162 0.85 ALOX5 (0.74) ALOX5PARP1ALDH1A1KMT2AMEN1
SCHEMBL8557862 0.84 ALOX5 (0.55) ALOX5PARP1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8557855 0.84 ALOX5 (0.55) ALOX5PARP1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8553132 0.83 ALOX5 (0.55) ALOX5PARP1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8554233 0.82 ALOX5 (0.53) ALOX5POLBPARP1KDM4ESMN1; SMN2
SCHEMBL8552282 0.78 ALOX5 (0.59) ALOX5POLBPARP1KDM4ESMN1; SMN2
SCHEMBL8557902 0.77 KMT2A (0.45) ALOX5POLBSMN1; SMN2KMT2AMEN1
SCHEMBL9304984 0.75 ALOX5 (0.45) ALOX5PARP1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9302744 0.74 MEN1 (0.52) ALOX5POLBSMN1; SMN2ALDH1A1HTT

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-0529452-B1 1,7-Condensed 3-(piperazinoalkyl)indol derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SOLVAY PHARM GMBH (DE) 1998-11-11 EP disclosed
EP-0529452-A2 1,7-Condensed 2-(piperazinoalkyl)indol derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them Kali-Chemie Pharma GmbH (DE) 1993-03-03 EP disclosed