SCHEMBL7414405

SCHEMBL7414405

O=C(O)C1CN(c2ccccc2)C(=O)c2[nH]c3ccccc3c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
AHR P35869 1/20 0.38
CHRNA7 P36544 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 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
SCHEMBL7415419 0.87 KDM4E (0.41) KCNH2ALDH1A1KDM4EGAAGLA
SCHEMBL7410799 0.86 ROCK2 (0.42) ALDH1A1GAAKMT2ATDP1SMN1; SMN2
SCHEMBL7406913 0.84 KDM4E (0.43) ALDH1A1KDM4EGAAMEN1CYP1A2
SCHEMBL9734334 0.74 NPC1 (0.42) ALDH1A1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL12660672 0.69 KDM4E (0.46) KCNH2KDM4ECHRNA7HTR2AHTR2C
Hydrochloric Acid SCHEMBL11265835 0.68 KDM4E (0.44) KCNH2ALDH1A1KDM4EGAAKMT2A
SCHEMBL10641597 0.65 KDM4E (0.46) KCNH2ALDH1A1KDM4EGAAMEN1
SCHEMBL19167806 0.65 KDM4E (0.46) KCNH2ALDH1A1KDM4EGAAMEN1
SCHEMBL19168622 0.64 MAPT (0.39) ALDH1A1KMT2ATDP1
SCHEMBL17500271 0.64 MAPT (0.39) ALDH1A1KMT2ATDP1

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