SCHEMBL9455748

SCHEMBL9455748

Nc1cccc2c(=O)[nH]sc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ DDAH1 O94760 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ CACNA1B Q00975 1/20 0.50
▸ APBA1 Q02410 1/20 0.50
▸ PARP1 P09874 9/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ RECQL P46063 1/20 0.46
▸ CYP3A4 P08684 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ INCENP Q9NQS7 1/20 0.39
▸ POLB P06746 2/20 0.38

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
SCHEMBL20022717 0.78 KDM4E (0.48) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL1412268 0.78 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL6232605 0.78 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL20022719 0.73 KDM4E (0.48) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL31288017 0.73 CA1 (0.44) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL292306 0.70 ALDH1A1 (0.41) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL8596062 0.69 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL8394428 0.68 KDM4E (0.47) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL19198961 0.67 ALDH1A1 (0.55) ALDH1A1LMNAMAPTKDM4EPARP1
SCHEMBL26078 0.67 ALDH1A1 (1.00) ALDH1A1LMNAMAPTKDM4EDDAH1

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
US-5187265-A Medical diagnosis MILES INC. (US) 1993-02-16 — — US disclosed
US-5187105-A Process for determining thiols using chromogenic benzoisothiazolone derivatives MILES INC. (US) 1993-02-16 — — US disclosed
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