SCHEMBL6979995

SCHEMBL6979995

CS(=O)(=O)O.O=c1c(Cc2cccnc2)cn2c3cc(Cl)ccc3c3cc(OCCCO)cc1c32

nearest known ligand 0.44

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 6)

geneUniProtsupporting neighboursconfidence
MCL1 known ✓ Q07820 10/20 0.44
BCL2L1 known ✓ Q07817 1/20 0.35
PLA2G7 Q13093 2/20 0.36
MAT2A P31153 3/20 0.36
TBXAS1 P24557 2/20 0.35
PTAFR P25105 1/20 0.35

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
SCHEMBL6977996 0.95 MCL1 (0.39) MCL1PLA2G7MAT2ATBXAS1PTAFR
Hydrochloric Acid SCHEMBL6973682 0.94 MCL1 (0.39) MCL1PLA2G7MAT2ATBXAS1PTAFR
SCHEMBL6975039 0.91 TBXAS1 (0.36) MCL1TBXAS1
SCHEMBL7084093 0.91 MCL1 (0.35) MCL1TBXAS1PTAFR
SCHEMBL6979997 0.90 MCL1 (0.42) MCL1PLA2G7MAT2A
SCHEMBL6976288 0.89 MMP1 (0.35) MCL1
Sulfuric Acid SCHEMBL6983443 0.87 GABRA1 (0.35) MCL1PLA2G7TBXAS1PTAFR
SCHEMBL6983342 0.86 MAT2A (0.44) MCL1PLA2G7MAT2A
SCHEMBL6971083 0.85 PTGDR2 (0.36) PLA2G7TBXAS1
SCHEMBL1961296 0.85 GABRA1 (0.36) PLA2G7TBXAS1PTAFR

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
EP-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed