SCHEMBL4455856

SCHEMBL4455856

CCN(N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(N)=S

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.60
HPGD P15428 7/20 0.60
MEN1 O00255 6/20 0.60
ALDH1A1 P00352 6/20 0.60
MAPT P10636 6/20 0.60
NPSR1 Q6W5P4 4/20 0.60
HTT P42858 1/20 0.60
PHGDH O43175 2/20 0.45
KDM4E B2RXH2 5/20 0.42
POLB P06746 3/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 3/20 0.42
PKM P14618 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42

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
SCHEMBL4331661 0.88 KMT2A (0.56) KMT2AHPGDMEN1ALDH1A1MAPT
SCHEMBL4331665 0.88 KMT2A (0.56) KMT2AHPGDMEN1ALDH1A1MAPT
SCHEMBL4341232 0.88 KMT2A (0.58) KMT2AHPGDMEN1ALDH1A1MAPT
SCHEMBL13887398 0.86 KMT2A (0.57) KMT2AHPGDMEN1ALDH1A1MAPT
SCHEMBL4455963 0.85 KDM4E (0.51) KMT2AHPGDMEN1ALDH1A1MAPT
SCHEMBL6445038 0.85 KMT2A (0.63) KMT2AHPGDMEN1ALDH1A1MAPT
SCHEMBL4453437 0.85 KMT2A (0.63) KMT2AHPGDMEN1ALDH1A1MAPT
SCHEMBL4331501 0.84 KMT2A (0.53) KMT2AHPGDMEN1ALDH1A1MAPT
SCHEMBL4328939 0.82 KMT2A (0.53) KMT2AHPGDMEN1ALDH1A1MAPT
SCHEMBL4557419 0.82 KMT2A (0.53) KMT2AHPGDMEN1ALDH1A1MAPT

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
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 US disclosed