SCHEMBL8083575

SCHEMBL8083575

COc1ccc(-c2cccs2)cc1NN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ACLY P53396 1/20 0.51
HDAC1 Q13547 10/20 0.49
HDAC2 Q92769 10/20 0.49
HDAC3 O15379 7/20 0.49
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL27864586 0.80 ALDH1A1 (0.66) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8616986 0.80 HDAC2 (0.51) HDAC1HDAC2HDAC3KCNH2
SCHEMBL21999630 0.80 KCNH2 (0.64) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23097942 0.76 KCNH2 (0.64) KDM4EALDH1A1MEN1KMT2AHDAC1
SCHEMBL7059675 0.76 TNFRSF1A (0.51) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4459254 0.76 KDM4E (0.59) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL28278107 0.74 ALDH1A1 (0.62) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL26414626 0.74 ALDH1A1 (0.52) KDM4EALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL6130391 0.74 KDM4E (0.57) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8078586 0.74 KCNH2 (0.45) MEN1KMT2AHDAC1HDAC2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0836596-B1 HYDRAZINE DERIVATIVES UNIROYAL CHEM CO INC (US) 2000-08-23 EP disclosed
EP-0836596-A1 HYDRAZINE DERIVATIVES UNIROYAL CHEMICAL COMPANY, Inc. (US) 1998-04-22 EP disclosed
WO-1997002257-A1 HYDRAZINE DERIVATIVES UNIROYAL CHEMICAL COMPANY, INC. (US) 1997-01-23 WO disclosed