SCHEMBL9125563

SCHEMBL9125563

CCCCc1nc2c(C(=O)OC)cccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.67
▸ PKN1 Q16512 1/20 0.54
▸ PKN2 Q16513 1/20 0.54
▸ PARP1 P09874 5/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ CRBN Q96SW2 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL1917467 0.92 RIPK1 (0.62) RIPK1PKN1PKN2PARP1CHEK1
SCHEMBL2845527 0.88 RIPK1 (0.58) RIPK1PKN1PKN2PARP1CHEK1
SCHEMBL9756381 0.85 KDM4E (0.51) RIPK1PARP1
SCHEMBL7478397 0.84 PKN1 (0.59) RIPK1PKN1PKN2PARP1ALDH1A1
SCHEMBL12730392 0.83 PKN1 (0.57) RIPK1PKN1PKN2PARP1CHEK1
SCHEMBL6841804 0.83 PKN1 (0.57) RIPK1PKN1PKN2PARP1ALDH1A1
SCHEMBL15767242 0.83 PKN1 (0.57) RIPK1PKN1PKN2
SCHEMBL28263632 0.82 KDM4E (0.50) RIPK1PARP1
SCHEMBL939723 0.82 RIPK1 (0.59) RIPK1PKN1PKN2PARP1ALDH1A1
SCHEMBL461964 0.81 PARP1 (0.58) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5470867-A Imidazoles and their salts having antagonistic activity to angiotesin II recetors ROUSSEL-UCLAF (FR) 1995-11-28 — — US disclosed
EP-0425921-B1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-08-09 — — EP disclosed
US-5389634-A Treating arterial hypertension, relaxing uterus, prevention of post-angioplastic restenosis ROUSSEL-UCLAF (FR) 1995-02-14 — — US disclosed
US-5338756-A Angiotensin II receptor antagonists ROUSSEL UCLAF (FR) 1994-08-16 — — US disclosed
US-5250554-A Cardiovascular disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-05 — — US disclosed
US-5128356-A Angiotensin antagonist; cardiovascular disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-07-07 — — US disclosed
EP-0425921-A1 Benzimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-05-08 — — EP disclosed
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