SCHEMBL9259245

SCHEMBL9259245

O=c1[nH]cncc1Cc1ccc(Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.60
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.36
HTR1D P28221 1/20 0.36

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
SCHEMBL28239625 0.83 HRH3 (0.58) HRH3KMT2AHRH4TAAR1SMN1; SMN2
SCHEMBL10735316 0.72 DHFR (0.46) HRH3HRH4TAAR1
SCHEMBL10653116 0.68 PLA2G7 (0.48) PDE3BPDE3A
SCHEMBL8652815 0.68 HRH3 (0.57) HRH3NPC1RAB9AKMT2AHRH4
SCHEMBL9948003 0.68 HRH3 (0.62) HRH3KMT2AHRH4MAPT
SCHEMBL21803711 0.67 HRH3 (0.43) HRH3PDE3BPDE3AKMT2ATAAR1
SCHEMBL9259240 0.67 HRH3 (0.40) HRH3PDE3BPDE3AHTR1D
SCHEMBL8320778 0.66 RARB (0.42) HRH3NPC1RAB9AKMT2AHRH4
SCHEMBL6605700 0.66 MEN1 (0.47) PDE3BPDE3AKMT2ACYP3A4MAPT
SCHEMBL25435625 0.65 ALDH1A1 (0.39) HRH3NPC1RAB9AKMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6009625-A None JP disclosed
US-5430149-A 5-[(4-bromophenyl)methyl]4-pyrimidinones SYNTHELABO (FR) 1995-07-04 US disclosed
US-5430149-A 5-[(4-bromophenyl)methyl]4-pyrimidinones SYNTHELABO (FR) 1995-07-04 US disclosed
US-5312920-A Process for preparing 4-pyrimidinones SYNTHELABO (FR) 1994-05-17 US disclosed
JP-H069625-A NEW PRODUCTION OF 4-PYRIMIDINONES SYNTHELABO SA 1994-01-18 JP disclosed