SCHEMBL8993463

SCHEMBL8993463

O=C(Nc1ccc(Br)cc1)Nc1ccc(Br)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.83
MAOB P27338 1/20 0.83
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
CA12 O43570 2/20 0.68
CA1 P00915 2/20 0.68
CA2 P00918 2/20 0.68
CA9 Q16790 2/20 0.68
RAB9A P51151 6/20 0.67
NPC1 O15118 4/20 0.67
CNR1 P21554 1/20 0.64
MAPT P10636 3/20 0.63
LMNA P02545 3/20 0.63
CASP3 P42574 1/20 0.63
SENP8 Q96LD8 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
SENP6 Q9GZR1 1/20 0.63
HTT P42858 1/20 0.63
POLB P06746 2/20 0.60
F13A1 P00488 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
SCHEMBL3598685 0.91 MAOA (1.00) MAOAMAOBMEN1KMT2ARAB9A
SCHEMBL5443582 0.90 MAOA (0.69) MAOAMAOBMEN1KMT2ACA12
SCHEMBL11055930 0.89 CNR1 (0.70) MAOAMAOBMEN1KMT2ACA12
SCHEMBL4548119 0.89 CNR1 (0.70) MAOAMAOBMEN1KMT2ACA12
SCHEMBL4555020 0.89 MAPT (0.72) MAOAMAOBMEN1KMT2ACA12
SCHEMBL3596178 0.86 ALDH1A1 (0.64) MAOAMAOBMEN1KMT2ACA12
SCHEMBL7516833 0.86 MAOA (0.64) MAOAMAOBMEN1KMT2ACA12
SCHEMBL31325109 0.86 MAOA (0.64) MAOAMAOBMEN1KMT2ACA12
SCHEMBL28609606 0.85 MAOA (0.63) MAOAMAOBMEN1KMT2ACA12
SCHEMBL4921279 0.85 NPC1 (0.70) MAOAMAOBMEN1KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118684599-A Preparation method of N, N-diaryl urea compound 上海应用技术大学 2024-09-24 CN disclosed
CN-114213286-B Synthetic method of urea derivative 湖北文理学院 2022-12-30 CN disclosed
WO-2017214505-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2017-12-14 WO disclosed
US-5574169-A CHOLECYSTOKININ ANTAGONIST ELI LILLY AND COMPANY (US) 1996-11-12 US disclosed
US-5399708-A Cholecystokinin and gastrin antagonists; gastrointestinal and central nervous system disorders ELI LILLY AND COMPANY (US) 1995-03-21 US disclosed
US-4444863-A UREA COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1984-04-24 US disclosed
US-4275215-A QUATERNARY AMMONIUM OR PHOSPHONIUM SALTS CATALYZE REACTION OF HYPOHALITE AND A DIPHENYL UREA DOW CHEMICAL COMPANY LIMITED (GB) 1981-06-23 US disclosed