SCHEMBL8032241

SCHEMBL8032241

CNC(=O)N(C(=O)c1ccc2c(c1)nc(Cc1ccc(C(=N)N)cc1)n2C)c1ccccc1.CS(=O)(=O)O

nearest known ligand 0.61

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 13)

geneUniProtsupporting neighboursconfidence
▸ F2 known ✓ P00734 20/20 0.61
▸ SLC22A2 O15244 1/20 0.48
▸ F10 P00742 1/20 0.48
▸ PLG P00747 1/20 0.48
▸ PLAT P00750 1/20 0.48
▸ PROC P04070 1/20 0.48
▸ HPN P05981 1/20 0.48
▸ PRSS1 P07477 1/20 0.48
▸ PRSS2 P07478 1/20 0.48
▸ NQO2 P16083 1/20 0.48
▸ PRSS3 P35030 1/20 0.48
▸ SLC47A2 Q86VL8 1/20 0.48
▸ SLC47A1 Q96FL8 1/20 0.48

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
SCHEMBL8028885 0.83 HDAC6 (0.46) F2
Hydrochloric Acid SCHEMBL8028121 0.81 F2 (0.83) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL8029777 0.79 F2 (0.67) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL8016401 0.78 F2 (0.77) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL8028309 0.78 F2 (0.70) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL8026018 0.77 F2 (0.68) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL8016517 0.77 F2 (0.69) F2F10
Hydrochloric Acid SCHEMBL8026382 0.76 F2 (0.62) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL8026420 0.76 F2 (0.61) F2
Hydrochloric Acid SCHEMBL8031690 0.76 F2 (0.72) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 — — EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 — — US disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 — — WO disclosed
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