SCHEMBL28987404

SCHEMBL28987404

Cc1ccc2oc(=N)c(C(N)=S)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 1/20 0.54
LCK P06239 1/20 0.50
MAOB P27338 6/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
PPP5C P53041 1/20 0.46
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
MAOA P21397 1/20 0.43

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
SCHEMBL31474881 0.83 LCK (0.72) KMT2AALDH1A1MEN1MAPTLCK
SCHEMBL28987439 0.83 LCK (0.72) KMT2AALDH1A1MEN1MAPTLCK
SCHEMBL28987412 0.81 PPP5C (0.60) KMT2AALDH1A1MEN1MAPTLCK
SCHEMBL28328754 0.81 ALDH1A1 (0.64) KMT2AALDH1A1MEN1MAPTCA12
SCHEMBL10812793 0.79 KMT2A (0.66) KMT2AALDH1A1MEN1MAPTLCK
SCHEMBL31474878 0.79 KMT2A (0.66) KMT2AALDH1A1MEN1MAPTLCK
SCHEMBL28987416 0.74 PPP5C (0.59) KMT2AALDH1A1MEN1MAPTLCK
SCHEMBL31474875 0.74 PPP5C (0.59) KMT2AALDH1A1MEN1MAPTLCK
SCHEMBL14231743 0.73 MAOB (0.71) ALDH1A1MAOBCA12CA1CA2
SCHEMBL28987424 0.73 MEN1 (0.68) KMT2AALDH1A1MEN1MAPTLCK

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
CN-115974828-B Compounds as protein phosphatase 5 agonists, methods of preparation and uses thereof 中国药科大学 2025-02-11 CN disclosed
CN-115974828-A Compound as protein phosphatase 5 agonist and preparation method and application thereof 中国药科大学 2023-04-18 CN disclosed