SCHEMBL4328129

SCHEMBL4328129

O=C(CBr)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.69
DEGS1 O15121 1/20 0.68
KMT2A Q03164 6/20 0.66
MEN1 O00255 5/20 0.66
NR1H4 Q96RI1 2/20 0.64
NPC1 O15118 8/20 0.63
RAB9A P51151 8/20 0.63
CASP3 P42574 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
KDM4E B2RXH2 1/20 0.62
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.58
MCL1 Q07820 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GPR27 Q9NS67 1/20 0.56
PLAU P00749 3/20 0.56
ENPP3 O14638 1/20 0.55
ENPP1 P22413 1/20 0.55
ENPP2 Q13822 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL6228356 0.83 DEGS1 (0.74) DEGS1KMT2AMEN1NR1H4NPC1
SCHEMBL6932712 0.83 NR1H4 (0.69) DEGS1KMT2AMEN1NR1H4NPC1
SCHEMBL26885220 0.83 DEGS1 (0.79) PTPN1DEGS1KMT2AMEN1NR1H4
SCHEMBL3066613 0.83 KMT2A (0.66) PTPN1KMT2AMEN1NPC1RAB9A
SCHEMBL2467402 0.82 PLAU (0.78) PTPN1DEGS1KMT2AMEN1NR1H4
SCHEMBL220588 0.82 PTPN1 (1.00) PTPN1KMT2AMEN1NPC1RAB9A
SCHEMBL29411099 0.82 PTPN1 (1.00) PTPN1KMT2AMEN1NPC1RAB9A
SCHEMBL7890716 0.81 DEGS1 (1.00) DEGS1KMT2AMEN1NR1H4NPC1
SCHEMBL3656661 0.81 DEGS1 (0.77) DEGS1KMT2AMEN1NR1H4NPC1
SCHEMBL29518660 0.81 DEGS1 (1.00) DEGS1KMT2AMEN1NR1H4NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed