SCHEMBL7004576

SCHEMBL7004576

Cc1cccc2c1cc1c(=O)n(C)ccn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.38
PDE2A O00408 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NQO2 P16083 1/20 0.37
PTPN1 P18031 2/20 0.35
BRD4 O60885 1/20 0.35
NTRK1 P04629 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.34
FTO Q9C0B1 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7004254 0.75 DAO (0.46) KDM4EBRD4MAPTTP53ALDH1A1
SCHEMBL20203369 0.72 BRD9 (0.35) KDM4ENQO2PTPN1BRD4ALDH1A1
SCHEMBL7005436 0.69 MAPT (0.38) PDE2APDE3BPDE3AKDM4EBRD4
SCHEMBL13833580 0.68 GAA (0.57) PTPN1BRD4MAPTTP53ALDH1A1
SCHEMBL22828053 0.66 BRPF1 (0.32) KDM4EBRD4MAPTALDH1A1
SCHEMBL256208 0.65 ALDH1A1 (0.50) KDM4ENQO2PTPN1ALKBH5FTO
SCHEMBL7006877 0.65 HTR3E (0.37) KDM4EBRD4TP53ALDH1A1MEN1
SCHEMBL7006177 0.65 DAO (0.36) KDM4EBRD4ALDH1A1SMN1; SMN2MEN1
SCHEMBL7006296 0.65 TP53 (0.38) BRD4MAPTTP53MEN1KMT2A
SCHEMBL9279188 0.65 ALOX5 (0.37) SLC9A1KDM4ENQO2MAPTALDH1A1

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
EP-1200439-B1 1,2-DIHYDRO-1-OXO-PARAZINO(1,2-A) INDOLE DERIVATIVES NOVUSPHARMA SPA (IT) 2003-06-25 EP disclosed