SCHEMBL7139474

SCHEMBL7139474

O=C1Nc2c(Br)cc(Br)cc2C1=Cc1cc(Br)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ STAT3 P40763 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ ALDH2 P05091 1/20 0.36
▸ ALDH3A1 P30838 1/20 0.36
▸ RET P07949 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ SIRT1 Q96EB6 2/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ SIRT3 Q9NTG7 1/20 0.34
▸ MAP1LC3B Q9GZQ8 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ MEN1 O00255 2/20 0.33

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
SCHEMBL7136014 0.81 KMT2A (0.56) MAPTPOLBALDH1A1KMT2AXBP1
SCHEMBL5358279 0.79 KMT2A (0.38) MAPTPOLBALDH1A1KMT2AXBP1
SCHEMBL7139388 0.77 MAPT (0.55) MAPTPOLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL7139714 0.77 MAPT (0.40) MAPTPOLBSTAT3SMN1; SMN2ALDH1A1
SCHEMBL5365589 0.77 KMT2A (0.51) KMT2ARETSIRT1SIRT2SIRT3
SCHEMBL5362932 0.76 ERBB2 (0.49) MAPTPOLBALDH1A1KMT2AXBP1
SCHEMBL5358437 0.75 LRRK2 (0.49) POLBSMN1; SMN2KMT2AMAPK1RET
SCHEMBL7135671 0.75 SIRT1 (0.46) MAPTALDH1A1KMT2AXBP1MAPK1
SCHEMBL7131372 0.74 SIRT1 (0.48) MAPTPOLBKMT2AMAPK1RET
SCHEMBL5361431 0.74 METAP1 (0.54) MAPTKMT2ARETSIRT1SIRT2

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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