SCHEMBL10852385

SCHEMBL10852385

CS(=O)(=O)O.Nc1nc2ccc(F)cc2n2cnnc12

nearest known ligand 0.81

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.46
HCRTR1 O43613 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL10848419 0.90 HCRTR1 (0.42) KMT2AMEN1POLBRXFP1HCRTR1
SCHEMBL10846882 0.79 HCRTR1 (0.46) KMT2AMEN1POLBHCRTR1
SCHEMBL10845598 0.78 TP53 (0.45) KMT2AMEN1POLBTP53MAPT
SCHEMBL30587299 0.76 KMT2A (0.63) KMT2AMEN1POLBRXFP1TP53
SCHEMBL10846907 0.76 TP53 (0.61) KMT2AMEN1POLBRXFP1HCRTR1
SCHEMBL38664610 0.76 KDM4E (0.49) KMT2AMEN1TP53MAPT
SCHEMBL31325815 0.74 KDM4E (0.53) KMT2AMEN1POLBTP53MAPT
SCHEMBL10848236 0.74 ALOX15 (0.67) KMT2AMEN1POLBRXFP1HCRTR1
SCHEMBL10847127 0.73 KMT2A (0.61) KMT2AMEN1POLBRXFP1HCRTR1
SCHEMBL10847128 0.73 KMT2A (0.51) KMT2AMEN1POLBRXFP1HCRTR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4623725-A [1,2,4]Triazolo[4,3-a]quinoxaline-4-amine derivatives PFIZER INC. (US) 1986-11-18 US disclosed
EP-0107455-B1 TRIAZOLOQUINOXALINES AS ANTIDEPRESSANTS AND ANTIFATIGUE AGENTS PFIZER INC. (US) 1986-07-09 EP disclosed
US-4547501-A Method of using [1,2,4]triazolo[4,3-a]quinoxaline-4-amine derivatives as antidepressant and antifatigue agents PFIZER INC. (US) 1985-10-15 US disclosed
US-4495187-A Method of using [1,2,4]triazolo[4,3-a]quinoxaline-4-amine derivatives as antidepressant and antifatigue agents PFIZER INC. (US) 1985-01-22 US disclosed
EP-0107455-A1 Triazoloquinoxalines as antidepressants and antifatigue agents PFIZER INC. (US) 1984-05-02 EP disclosed