SCHEMBL9852783

SCHEMBL9852783

O=[C]C(Cc1ccccc1)NC(=O)NCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MEN1 O00255 1/20 0.58
TSHR P16473 1/20 0.58
EPHX1 P07099 1/20 0.54
ANPEP P15144 1/20 0.51
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
PSMB1 P20618 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB2 P49721 1/20 0.49
OPRM1 P35372 1/20 0.48
EPHX2 P34913 4/20 0.48
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL7445995 0.84 NPC1 (0.49) ANPEPNPC1RAB9AEPHX2
SCHEMBL8357480 0.79 HDAC2 (0.53) MAPT
SCHEMBL8357478 0.79 HDAC2 (0.53) MAPT
SCHEMBL9852784 0.78 KMT2A (0.60) KMT2AMEN1TSHREPHX1ANPEP
SCHEMBL9871281 0.77 ALDH1A1 (0.60) NPC1RAB9APSMB5
SCHEMBL6032606 0.77 EPHX1 (0.85) KMT2AMEN1TSHREPHX1NPC1
SCHEMBL10725488 0.77 SMN1; SMN2 (0.57)
SCHEMBL10725478 0.77 SMN1; SMN2 (0.57)
SCHEMBL8837504 0.77 CTRB1 (0.60) KMT2AMEN1TSHREPHX1ANPEP
SCHEMBL29687117 0.77 KMT2A (0.75) KMT2AMEN1TSHREPHX1ANPEP

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
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP claimed