SCHEMBL7130491

SCHEMBL7130491

Cc1c(Br)cc(Br)c2c1C(=Cc1ccc(Cl)s1)C(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.48
MEN1 O00255 6/20 0.48
ERBB2 P04626 1/20 0.40
ALPL P05186 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
G6PD P11413 1/20 0.39
POLB P06746 4/20 0.38
EGFR P00533 1/20 0.34
SIRT1 Q96EB6 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
RAF1 P04049 1/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
PKM P14618 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 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
SCHEMBL7134821 0.88 KMT2A (0.43) KMT2AMEN1ERBB2ALPLHSP90AA1
SCHEMBL7135755 0.88 KMT2A (0.53) KMT2AMEN1ERBB2ALPLHSP90AA1
SCHEMBL7132947 0.83 ERBB2 (0.57) KMT2AMEN1ERBB2ALPLHSP90AA1
SCHEMBL7138194 0.83 EGFR (0.51) KMT2AMEN1ERBB2ALPLHSP90AA1
SCHEMBL5368564 0.82 MEN1 (0.50) KMT2AMEN1ERBB2ALPLHSP90AA1
SCHEMBL7136163 0.81 MEN1 (0.55) KMT2AMEN1ERBB2ALPLHSP90AA1
SCHEMBL7135552 0.80 ERBB2 (0.34) KMT2AMEN1ERBB2ALPLHSP90AA1
SCHEMBL7136390 0.79 MAPT (0.46) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL7136076 0.79 LRRK2 (0.42) SIRT1SIRT2SIRT3PSEN1PSEN2
SCHEMBL7139714 0.79 MAPT (0.40) KMT2AMEN1ERBB2ALPLHSP90AA1

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