SCHEMBL11099211

SCHEMBL11099211

CC(=O)NCc1nc2ccc(Cl)cc2n2cnnc12

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.61
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HRH4 Q9H3N8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
RXFP1 Q9HBX9 3/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL10848030 0.76 TP53 (0.59) TP53MAPTSMN1; SMN2HRH4HRH3
SCHEMBL10885287 0.74 TP53 (0.56) TP53MAPTSMN1; SMN2HRH4HRH3
SCHEMBL405269 0.73 HRH4 (0.60) TP53MAPTSMN1; SMN2HRH4HRH3
SCHEMBL10885283 0.73 TP53 (0.63) TP53MAPTSMN1; SMN2RXFP1KMT2A
SCHEMBL10847842 0.71 RXFP1 (0.65) TP53MAPTSMN1; SMN2RXFP1KMT2A
SCHEMBL435708 0.70 MAPT (0.51) TP53MAPTSMN1; SMN2HRH4HRH3
SCHEMBL405648 0.69 HRH4 (0.53) TP53MAPTSMN1; SMN2HRH4HRH3
SCHEMBL404420 0.68 MAPT (0.65) TP53MAPTSMN1; SMN2HRH4HRH3
SCHEMBL462880 0.68 MAPT (0.51) TP53MAPTSMN1; SMN2HRH4HRH3
SCHEMBL439933 0.68 MAPT (0.51) TP53MAPTSMN1; SMN2HRH4HRH3

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-0107455-A1 Triazoloquinoxalines as antidepressants and antifatigue agents PFIZER INC. (US) 1984-05-02 EP disclosed