SCHEMBL27958139

SCHEMBL27958139

CCCCc1ccc(N(C(N)=O)c2ccc3c(C)n(C)nc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ QPCT Q16769 2/20 0.41
▸ HDAC1 Q13547 6/20 0.39
▸ HDAC6 Q9UBN7 6/20 0.39
▸ KDR P35968 4/20 0.39
▸ FLT1 P17948 2/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ MAPT P10636 5/20 0.37
▸ HDAC3 O15379 4/20 0.36
▸ HDAC4 P56524 4/20 0.36
▸ HDAC7 Q8WUI4 4/20 0.36
▸ HDAC2 Q92769 4/20 0.36
▸ HDAC10 Q969S8 4/20 0.36
▸ HDAC11 Q96DB2 4/20 0.36
▸ HDAC8 Q9BY41 4/20 0.36
▸ HDAC9 Q9UKV0 4/20 0.36
▸ HDAC5 Q9UQL6 4/20 0.36

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
SCHEMBL27958145 0.82 KDR (0.41) QPCTHDAC1HDAC6KDRFLT1
SCHEMBL27958168 0.82 HDAC1 (0.40) QPCTHDAC1HDAC6KDRFLT1
SCHEMBL1954010 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL27958167 0.78 KDR (0.46) QPCTHDAC1HDAC6KDRFLT1
SCHEMBL27958141 0.76 KDR (0.42) QPCTHDAC1HDAC6KDRFLT1
SCHEMBL27958144 0.76 KDR (0.40) QPCTHDAC1HDAC6KDRFLT1
SCHEMBL27958138 0.75 KDR (0.38) MEN1KMT2AQPCTHDAC1HDAC6
SCHEMBL1952134 0.75 ALDH1A1 (0.54) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL27958133 0.74 HDAC3 (0.37) QPCTHDAC1HDAC6KDRFLT1
SCHEMBL1955028 0.73 ALDH1A1 (0.53) MEN1KMT2AALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103739550-A 2, 3-dimethyl-6-urea-2H-indazole compound and preparation method and application thereof UNIV CHINA PHARMA 2014-04-23 — — CN disclosed
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