SCHEMBL7412002

SCHEMBL7412002

Cn1c2c(c3cc(F)ccc31)C(C(=O)O)CN(Cc1ccccc1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.43
AKR1B10 O60218 1/20 0.42
AKR1A1 P14550 1/20 0.42
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.38
PTGDR2 Q9Y5Y4 8/20 0.38
TACR1 P25103 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
WDR5 P61964 1/20 0.37
SRC P12931 1/20 0.36

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
SCHEMBL7414387 0.90 AKR1B1 (0.41) AKR1B1AKR1B10AKR1A1MEN1ALDH1A1
SCHEMBL7414202 0.73 MEN1 (0.37) MEN1KMT2APTGDR2WDR5SRC
SCHEMBL9043612 0.69 POLB (0.46) ALDH1A1KMT2AHTT
SCHEMBL10341454 0.66 KMT2A (0.49) MEN1ALDH1A1KMT2A
SCHEMBL2820833 0.66 AKR1B1 (0.90) AKR1B1AKR1B10AKR1A1PTGDR2
SCHEMBL2822156 0.66 AKR1B1 (0.70) AKR1B1AKR1B10AKR1A1ALDH1A1HTT
SCHEMBL15083046 0.62 BRD4 (0.51)
SCHEMBL11492920 0.62 FKBP1A (0.48) MEN1ALDH1A1KMT2A
SCHEMBL9913677 0.60 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1PTGDR2
SCHEMBL10778316 0.60 MAPT (0.59) MEN1ALDH1A1GAAKMT2AHTT

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