SCHEMBL11574792

SCHEMBL11574792

Nc1cc(NC(=O)c2ccccc2)ccc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.62
MEN1 O00255 5/20 0.62
MAPT P10636 3/20 0.62
LMNA P02545 1/20 0.62
KCNK3 O14649 1/20 0.59
KCNK9 Q9NPC2 1/20 0.59
TP53 P04637 2/20 0.58
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
PTPN1 P18031 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
PLAU P00749 1/20 0.54
SIRT1 Q96EB6 2/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
ACE2 Q9BYF1 1/20 0.53

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
SCHEMBL14972696 0.87 MEN1 (0.66) KMT2AMEN1MAPTLMNATP53
SCHEMBL4409156 0.85 KCNK3 (0.65) KMT2AMEN1MAPTKCNK3KCNK9
SCHEMBL11127571 0.82 NPC1 (0.67) KMT2AMEN1MAPTLMNATP53
SCHEMBL16079860 0.82 HDAC1 (0.69) KMT2AMEN1MAPTLMNAKCNK3
SCHEMBL11202607 0.82 KMT2A (0.62) KMT2AMEN1MAPTKCNK3KCNK9
SCHEMBL16098188 0.82 MEN1 (0.58) KMT2AMEN1MAPTPTPN1POLB
SCHEMBL18797052 0.81 KMT2A (0.44) KMT2AMEN1MAPTLMNANPC1
SCHEMBL3530325 0.81 KMT2A (0.69) KMT2AMEN1MAPTKCNK3KCNK9
Hydrochloric Acid SCHEMBL11197738 0.81 KMT2A (0.60) KMT2AMEN1MAPTKCNK3KCNK9
SCHEMBL15388151 0.81 KMT2A (0.67) KMT2AMEN1MAPTLMNAKCNK3

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-4080321-A COLORFASTNESS HOECHST AKTIENGESELLSCHAFT (DT) 1978-03-21 US disclosed