SCHEMBL28408741

SCHEMBL28408741

O=C(NCCc1ccccc1)Nc1cccc(Br)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.71
MEN1 O00255 5/20 0.71
NPC1 O15118 4/20 0.71
RAB9A P51151 4/20 0.71
MAPT P10636 4/20 0.71
CNR1 P21554 2/20 0.66
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA9 Q16790 1/20 0.64
GOT1 P17174 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 3/20 0.60
ALDH1A1 P00352 3/20 0.60
HTT P42858 2/20 0.60
EPHX1 P07099 2/20 0.60
KDM4E B2RXH2 1/20 0.60
TP53 P04637 1/20 0.60
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59

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
SCHEMBL28882017 0.91 CNR1 (0.78) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL29883691 0.91 CNR1 (0.78) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL8177075 0.85 EGFR (0.65) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4606056 0.85 EPHX1 (0.81) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL2827311 0.84 KMT2A (0.72) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL22588919 0.84 KMT2A (0.72) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4897395 0.84 CNR1 (0.74) KMT2ANPC1RAB9AMAPTCNR1
SCHEMBL28411219 0.83 CNR1 (0.69) KMT2AMEN1NPC1RAB9ACNR1
SCHEMBL10192070 0.83 KMT2A (0.82) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL14466285 0.83 KMT2A (0.71) KMT2AMEN1NPC1RAB9AMAPT

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
CN-111100038-A Urea compound with gibberellin function inhibition activity and preparation method and application thereof 中国农业大学 2020-05-05 CN disclosed