SCHEMBL27335686

SCHEMBL27335686

BrCc1ccccc1-c1nc(-c2ccccc2)c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ ATM Q13315 1/20 0.51
▸ NUDT1 P36639 3/20 0.46
▸ ADORA2A P29274 2/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ TSHR P16473 5/20 0.45
▸ CYP1A2 P05177 4/20 0.45
▸ CYP2D6 P10635 4/20 0.45
▸ MAPT P10636 4/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ HPGD P15428 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GLA P06280 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAD52 P43351 1/20 0.40

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
SCHEMBL17412545 0.80 MEN1 (0.64) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL13911018 0.80 MEN1 (0.64) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL9920500 0.78 MEN1 (0.70) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL8070078 0.77 MEN1 (0.65) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL21281991 0.77 KMT2A (0.53) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL18698038 0.76 CYP1A2 (0.60) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL31065529 0.76 CYP1A2 (0.59) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL28146348 0.76 MEN1 (0.55) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL18171541 0.76 L3MBTL1 (0.60) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL4393626 0.76 MEN1 (0.79) MEN1KMT2AATMNUDT1ADORA2A

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-1048018-C Phosphonic diester derivative OTSUKA PHARMA CO LTD (JP) 2000-01-05 — — CN disclosed
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