SCHEMBL10766894

SCHEMBL10766894

COc1cc(SC)ccc1-c1nc2ncc(C#N)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFB P00751 8/20 0.46
▸ PDE2A O00408 1/20 0.45
▸ PDE5A O76074 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ PDE3B Q13370 2/20 0.41
▸ PDE3A Q14432 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ AURKA O14965 1/20 0.40
▸ HPGDS O60760 2/20 0.39
▸ MAP2K1 Q02750 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL11019300 0.82 PKN1 (0.48) CFB
SCHEMBL11233387 0.82 PDE2A (0.48) PDE2APDE5AKDM4EPDE3BPDE3A
SCHEMBL10760601 0.80 MAPK10 (0.42) CFBPDE2APDE5APDE3BPDE3A
SCHEMBL11774181 0.78 PDE2A (0.72) PDE2APDE5AKDM4EPDE3BPDE3A
Hydrochloric Acid SCHEMBL11768135 0.77 PDE2A (0.70) PDE2APDE5AKDM4EPDE3BPDE3A
SCHEMBL10691379 0.77 PDE2A (0.46) PDE2APDE5AKDM4EPDE3BPDE3A
SCHEMBL10745392 0.76 PDE2A (0.47) CFBPDE2APDE5AKDM4EPDE3B
SCHEMBL10762663 0.76 PDE2A (0.45) PDE2APDE5AKDM4EPDE3BPDE3A
SCHEMBL10678386 0.73 PDE5A (0.49) PDE2APDE5AKDM4EPDE3BPDE3A
SCHEMBL10673882 0.73 PDE2A (0.48) PDE2APDE5AKDM4EPDE3BPDE3A

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
EP-0209707-A2 2-Aryl imidazoles, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-01-28 — — EP claimed
EP-0209707-A2 2-Aryl imidazoles, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-01-28 — — EP disclosed
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