SCHEMBL8137823

SCHEMBL8137823

COC(=O)c1ccc2c(c1)SCc1ccccc1/C2=C/C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ LMNA P02545 5/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ AKR1B1 P15121 1/20 0.38
▸ PDK2 Q15119 2/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ HRH1 P35367 1/20 0.37

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
SCHEMBL2007673 0.81 AKR1B1 (0.57) ALDH1A1LMNASMN1; SMN2POLBAKR1B1
SCHEMBL8141751 0.74 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2POLBAKR1B1
SCHEMBL8141754 0.74 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2POLBAKR1B1
SCHEMBL8137792 0.69 TBXA2R (0.44) ALDH1A1KDM4EHPGDMAPT
SCHEMBL8881014 0.69 TBXA2R (0.44) ALDH1A1KDM4EHPGDMAPT
SCHEMBL11663201 0.67 AKR1B1 (0.61) ALDH1A1SMN1; SMN2AKR1B1PDK2MAPT
SCHEMBL4918684 0.67 SRD5A2 (0.66) ALDH1A1LMNASMN1; SMN2PDK2ADRA2A
SCHEMBL11567084 0.67 AKR1B1 (0.54) ALDH1A1SMN1; SMN2AKR1B1KDM4EMAPT
SCHEMBL9046208 0.66 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2POLBKDM4E
SCHEMBL26118036 0.66 TSHR (0.57) ALDH1A1LMNASMN1; SMN2PDK2KDM4E

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-0549352-B1 Tricyclic compounds as angiotensin II antagonists KYOWA HAKKO KOGYO KK (JP) 2000-03-01 — — EP disclosed
US-5607955-A TREATMENT OF HYPERTENSION, CONGESTIVE HEART FAILURE, RENAL FAILURE AND GLAUCOMA KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-03-04 — — US disclosed
US-5478840-A Imidazo(4,5-b)pyridine derivatives used as antagonism to angiotensin ii receptors KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-12-26 — — US disclosed
US-5378701-A Angiotensin II inhibitors; hypotensive agents; congestive heart and kidney failure; glaucoma KYOWA HAKKO KOGYO (JP) 1995-01-03 — — US disclosed
EP-0549352-A2 Tricyclic compounds as angiotensin II antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-06-30 — — EP disclosed
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