SCHEMBL9259240

SCHEMBL9259240

O=c1nc[nH]cc1Cc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
HTR1D P28221 1/20 0.36
EPHX2 P34913 1/20 0.35
TYMP P19971 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CHEK1 O14757 1/20 0.33
PIM1 P11309 1/20 0.33
AKT1 P31749 1/20 0.33
FLT3 P36888 1/20 0.33
PIM3 Q86V86 1/20 0.33
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL27924946 0.76 PLA2G7 (0.44) TSHR
SCHEMBL9904824 0.75 PLA2G7 (0.39)
SCHEMBL27924945 0.73 PLA2G7 (0.31)
SCHEMBL9904933 0.70 CYP1A2 (0.34) LMNATSHRALDH1A1
SCHEMBL9905012 0.70 PARG (0.36) ALDH1A1
SCHEMBL30783235 0.69 DAO (0.48) LMNA
SCHEMBL9259245 0.67 HRH3 (0.60) HRH3PDE3BPDE3AHTR1D
SCHEMBL3334615 0.63 CYP2A6 (0.57) HRH3HTR1DEPHX2TSHRALDH1A1
SCHEMBL30330993 0.63 CYP2A6 (0.57) HRH3HTR1DEPHX2TSHRALDH1A1
SCHEMBL9381117 0.63 CYP3A4 (0.34)

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