SCHEMBL9696096

SCHEMBL9696096

O=c1nc(-c2ccccc2)[nH]cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.40
TNKS O95271 2/20 0.40
TNKS2 Q9H2K2 2/20 0.40
PARP1 P09874 1/20 0.40
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
POLB P06746 2/20 0.38
DGAT1 O75907 1/20 0.38
RAB9A P51151 3/20 0.37

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
SCHEMBL4147456 0.78 MAPT (0.46) BTKTNKSTNKS2PARP1MAPT
SCHEMBL1954237 0.76 MTOR (0.42) BTKTNKSTNKS2PARP1CCNE1
SCHEMBL9696100 0.74 RECQL (0.50) TNKSTNKS2PARP1MAPTSMN1; SMN2
SCHEMBL16631769 0.73 DCUN1D1 (0.33) PARP1MAPTGAAALDH1A1HPGD
SCHEMBL27741798 0.71 NR1H2 (0.49) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL528246 0.70 MEN1 (0.46) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL3672987 0.69 MEN1 (0.44) BTKTNKSTNKS2PARP1MAPT
SCHEMBL7139439 0.69 DGAT1 (0.51) TNKSTNKS2MAPTSMN1; SMN2MEN1
SCHEMBL28262475 0.69 CA2 (0.41) TNKSMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL19665218 0.69 MAPK13 (0.54) BTKTNKSTNKS2PARP1MAPT

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
WO-1992005159-A1 2-PHENYL-PYRIMIDINES, PROCESS FOR PRODUCING THE SAME, AGENTS CONTAINING THE SAME AND THEIR USE AS FUNGICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-02 WO disclosed