SCHEMBL7702818

SCHEMBL7702818

C=CCC(=S)c1nc2ccccc2c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ GPR3 P46089 2/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ATM Q13315 1/20 0.33

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
SCHEMBL4456760 0.69 POLB (0.42) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL28299251 0.67 ALDH1A1 (0.56) KMT2AGPR3ALDH1A1KDM4EMAPT
SCHEMBL3067398 0.67 ALDH1A1 (0.68) KMT2AGPR3MEN1ALDH1A1KDM4E
SCHEMBL9596955 0.67 GPR3 (0.44) KMT2AGPR3MEN1ALDH1A1KDM4E
SCHEMBL29289272 0.67 HSD17B10 (0.45) KMT2AGPR3MEN1ALDH1A1KDM4E
SCHEMBL1415779 0.67 KMT2A (0.58) KMT2AGPR3MEN1ALDH1A1KDM4E
SCHEMBL13014673 0.65 KDM4E (0.50) KMT2AMEN1ALDH1A1KDM4ERAB9A
SCHEMBL26533624 0.65 GPR3 (0.39) KMT2AGPR3ALDH1A1KDM4EMAPT
SCHEMBL28279288 0.65 MAP2K3 (0.53) GPR3ALDH1A1KDM4ERAB9AMAPT
SCHEMBL8573192 0.65 SMN1; SMN2 (0.52) KMT2AGPR3ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915851-B1 DIBENZODIHYDROPYRIDINECARBOXYLIC ESTERS AND THEIR USE IN CHEMILUMINESCENT ASSAY METHODS NEDERLANDEN STAAT (NL) 2002-03-20 — — EP disclosed
US-6030803-A FOR USE AS SUBSTRATE IN PEROXIDASE ASSAYS; ALPHA-CARBON ATOM OF THE ESTER ALKYL GROUP IS AN ALIPHATIC CARBON ATOM DE STAAT DER NEDERLANDEN, VERTEGENWOORDIGD DOOR DE MINISTER VAN WELZIJN, VOLKSGESZONHEID EN CULTUUR (NL) 2000-02-29 — — US disclosed
EP-0915851-A1 DIBENZODIHYDROPYRIDINECARBOXYLIC ESTERS AND THEIR USE IN CHEMILUMINESCENT ASSAY METHODS DE STAAT DER NEDERLANDEN VERTEGENWOORDIGD DOOR DE MINISTER VAN WELZIJN, VOLKSGEZONDHEID EN CULTUUR (NL) 1999-05-19 — — EP disclosed
WO-1998002421-A1 DIBENZODIHYDROPYRIDINECARBOXYLIC ESTERS AND THEIR USE IN CHEMILUMINESCENT ASSAY METHODS DE STAAT DER NEDERLANDEN, VERTEGENWOORDIGD DOOR DE MINISTER VAN WELZIJN, VOLKSGEZONDHEID EN CULTUUR (NL) 1998-01-22 — — WO disclosed
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