SCHEMBL9767724

SCHEMBL9767724

O=C(Nc1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.79
MEN1 O00255 6/20 0.79
NPC1 O15118 4/20 0.79
RAB9A P51151 4/20 0.79
TP53 P04637 3/20 0.79
MDM4 O15151 1/20 0.77
MDM2 Q00987 1/20 0.77
NR1I2 O75469 1/20 0.68
LMNA P02545 1/20 0.68
AHR P35869 1/20 0.68
TAAR1 Q96RJ0 1/20 0.68
PHGDH O43175 1/20 0.68
RXFP1 Q9HBX9 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.59
GAA P10253 1/20 0.59
KDR P35968 1/20 0.59
F10 P00742 1/20 0.59
HDAC1 Q13547 1/20 0.59
KCNMA1 Q12791 1/20 0.59
KDM4E B2RXH2 1/20 0.58

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
SCHEMBL11523681 0.89 NPC1 (1.00) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL21620277 0.87 POLB (0.74) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL19491391 0.87 KMT2A (0.62) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL16583930 0.86 DHODH (0.73) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL6059859 0.84 KMT2A (0.64) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL11826793 0.84 PDCD1 (0.72) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL27447692 0.84 NPC1 (0.76) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL28348690 0.84 KMT2A (0.68) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL16583576 0.83 NPC1 (0.62) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL21652249 0.83 RAB9A (0.62) KMT2AMEN1NPC1RAB9ATP53

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
US-5066776-A From dihaloaromatic compound, in situ generation of alkali sulfides BAYER AKTIENGESELLSCHAFT (DE) 1991-11-19 US disclosed
EP-0414079-A2 Process of preparation of polyarylene sulfides BAYER AG (DE) 1991-02-27 EP disclosed