SCHEMBL7330875

SCHEMBL7330875

CS(=O)(=O)O.N=C(N)c1ccc(OC(=O)c2ccccc2)c(NC(=O)c2ccccc2)c1

nearest known ligand 0.52

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 20)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 1/20 0.44
F10 P00742 9/20 0.52
KMT2A Q03164 5/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HDAC1 Q13547 4/20 0.50
HDAC8 Q9BY41 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 1/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
AHR P35869 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49

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
SCHEMBL7327340 0.94 KMT2A (0.54) F10KMT2ANPC1RAB9AMEN1
Bicarbonate SCHEMBL7319914 0.93 KMT2A (0.53) F10KMT2ANPC1RAB9AMEN1
SCHEMBL7321079 0.82 KMT2A (0.51) F10KMT2ANPC1RAB9AMEN1
SCHEMBL7332318 0.82 MAPT (0.58) KMT2ANPC1RAB9AMEN1CYP3A4
SCHEMBL7323721 0.82 TMPRSS15 (0.54) F10FTOKLK1PRSS1F2
SCHEMBL7330746 0.82 FTO (0.48) F10KMT2AMEN1CYP3A4FTO
SCHEMBL7324828 0.81 FTO (0.47) F10KMT2AALDH1A1LMNAMAPT
SCHEMBL7328928 0.79 PRSS1 (0.55) KMT2AMEN1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL7325783 0.78 PARP10 (0.43) F10KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL21771978 0.77 KMT2A (0.67) KMT2ANPC1RAB9AMEN1CYP1A2

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
US-4570006-A ANTITHROMBIN; ENZYME AND HORMONE INHIBITORS TORII & CO. LTD. (JP) 1986-02-11 US disclosed
US-4514416-A Amidine compound, process for producing same and anti-complement agent comprising same TORII & CO. LTD. (JP) 1985-04-30 US disclosed