SCHEMBL9548080

SCHEMBL9548080

C/N=C(/NC)Nc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1.CS(=O)(=O)O

nearest known ligand 0.62

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 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 3/20 0.62
LMNA P02545 3/20 0.62
GAA P10253 3/20 0.62
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
PTGS2 P35354 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
RECQL P46063 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
THRB P10828 1/20 0.51
HTT P42858 1/20 0.49
USP2 O75604 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ACHE P22303 4/20 0.44
ADORA1 P30542 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
SCHEMBL9548085 1.00 MAPT (0.62) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL9548090 0.78 MAPT (0.68) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL9547985 0.78 MAPT (0.68) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL9548112 0.77 MAPT (0.60) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL9548033 0.74 MAPT (0.69) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL9548102 0.74 MAPT (0.69) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL206504 0.72 MAPT (0.82) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL6546546 0.72 MAPT (0.88) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL8067403 0.71 MAPT (0.60) MAPTALDH1A1KDM4ELMNAGAA
Hydrochloric Acid SCHEMBL9547998 0.71 MAPT (0.68) MAPTALDH1A1KDM4ELMNAGAA

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-5217971-A Anticoagulants, hypotensive agents, antiallergens and antiinflammatory agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-08 US disclosed
EP-0377457-A1 Thiazole compounds, processes for the preparation thereof, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-07-11 EP disclosed