SCHEMBL7413480

SCHEMBL7413480

Cc1nnc(-n2cc(C(=O)N3CCCC3)c3c4cc(F)ccc4n(C)c3c2=O)s1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.44
HPGD P15428 11/20 0.44
HSD17B10 Q99714 11/20 0.44
KDM4E B2RXH2 9/20 0.44
NPSR1 Q6W5P4 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
GAA P10253 6/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 3/20 0.39
TSHR P16473 3/20 0.39
ALOX15 P16050 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
PARG Q86W56 1/20 0.39
GLA P06280 2/20 0.38

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
SCHEMBL4954775 0.82 HPGD (0.53) ALDH1A1HPGDHSD17B10KDM4ENPSR1
SCHEMBL7408771 0.68 KDM4E (0.52) ALDH1A1HPGDHSD17B10KDM4ENPSR1
SCHEMBL7411565 0.66 KDM4E (0.48) ALDH1A1HPGDHSD17B10KDM4ENPSR1
SCHEMBL7413021 0.65 KDM4E (0.45) ALDH1A1HPGDHSD17B10KDM4ENPSR1
SCHEMBL7412441 0.65 SRC (0.44) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL7411367 0.65 KDM4E (0.44) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL7412091 0.64 GAA (0.49) ALDH1A1HPGDHSD17B10KDM4ENPSR1
SCHEMBL7415364 0.64 KDM4E (0.46) ALDH1A1HPGDHSD17B10KDM4ENPSR1
SCHEMBL7407974 0.63 KDM4E (0.41) ALDH1A1HPGDHSD17B10KDM4ENPSR1
SCHEMBL17845486 0.62 PARG (0.52) PARG

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-0934319-B1 1H-PYRIDO[3,4-b]INDOLE-4-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS SANOFI SYNTHELABO (FR) 2002-06-05 EP disclosed
US-6075021-A 1H-pyrido[3,4-b]indole-4-carboxamide derivatives, preparation and application thereof in therapeutics SYNTHELABO (FR) 2000-06-13 US disclosed