SCHEMBL7139388

SCHEMBL7139388

O=C1Nc2c(Br)cc(Br)cc2C1=Cc1ccsc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.55
▸ POLB P06746 1/20 0.55
▸ KMT2A Q03164 8/20 0.51
▸ MEN1 O00255 7/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PKM P14618 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SIRT1 Q96EB6 2/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT3 Q9NTG7 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAP1LC3B Q9GZQ8 1/20 0.40
▸ PLK4 O00444 2/20 0.40
▸ XBP1 P17861 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ RAF1 P04049 1/20 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
SCHEMBL5365589 0.82 KMT2A (0.51) KMT2AMEN1SIRT1SIRT2SIRT3
SCHEMBL5358437 0.81 LRRK2 (0.49) POLBKMT2AMEN1SMN1; SMN2SIRT1
SCHEMBL5361431 0.80 METAP1 (0.54) MAPTKMT2AMEN1SIRT1SIRT2
SCHEMBL5377009 0.78 CISD1 (0.48) POLBKMT2AMEN1SIRT1SIRT2
SCHEMBL5361680 0.78 SIRT2 (0.54) KMT2AMEN1SIRT1SIRT2SIRT3
SCHEMBL7136821 0.78 LRRK2 (0.51) KMT2AMEN1SIRT1SIRT2SIRT3
SCHEMBL7137520 0.78 ALDH1A1 (0.48) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL7134042 0.77 MAPT (0.52) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL7131372 0.77 SIRT1 (0.48) MAPTPOLBKMT2AMEN1HPGD
SCHEMBL7139474 0.77 MAPT (0.42) MAPTPOLBKMT2AMEN1ALDH1A1

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-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 — — US disclosed
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