SCHEMBL7339135

SCHEMBL7339135

COc1ccc2ccc(C(=N)N)cc2c1Sc1ccccc1.CS(=O)(=O)O

nearest known ligand 0.56

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 15)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 4/20 0.47
PLAU P00749 13/20 0.56
PRSS1 P07477 8/20 0.47
PLG P00747 4/20 0.47
KLK1 P06870 4/20 0.47
PLAT P00750 3/20 0.44
PTGIR P43119 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KLKB1 P03952 1/20 0.39

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
SCHEMBL7337592 0.93 PLAU (0.60) PLAUPRSS1F2PLGKLK1
SCHEMBL7339139 0.73 TOP2A (0.34) PLAUPRSS1F2TP53MAPT
SCHEMBL7334924 0.73 PLAU (0.58) PLAUPRSS1F2PLGKLK1
SCHEMBL7332318 0.72 MAPT (0.58) PLAUPRSS1MAPTNPC1GAA
SCHEMBL7338672 0.72 PLAU (1.00) PLAUPRSS1F2PLGKLK1
SCHEMBL7344706 0.70 PLAU (0.87) PLAUPRSS1F2PLGKLK1
SCHEMBL7332586 0.70 PRSS1 (0.59) PLAUPRSS1F2PLGKLK1
SCHEMBL7332581 0.70 MEN1 (0.56) PLAUPRSS1F2PLATMAPT
SCHEMBL9547457 0.70 PRSS1 (0.78) PRSS1
SCHEMBL7337538 0.69 PLAU (0.68) PLAUPRSS1F2PLGKLK1

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
US-6284796-B1 NAPHTHAMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-09-04 US disclosed