SCHEMBL30965503

SCHEMBL30965503

O=[N+]([O-])c1ccc(Oc2ccccc2)c(CBr)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 5/20 0.53
LMNA P02545 3/20 0.53
CYP19A1 P11511 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MLNR O43193 1/20 0.53
MMP1 P03956 1/20 0.53
MPO P05164 1/20 0.53
CYP1A2 P05177 1/20 0.53
GLA P06280 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
TBXA2R P21731 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53

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
SCHEMBL23292590 1.00 MEN1 (0.53) MEN1KMT2AMAPTLMNACYP19A1
SCHEMBL14864858 0.87 MAPT (0.58) MEN1KMT2AMAPTLMNACYP19A1
SCHEMBL30965500 0.86 HSPB1 (0.66) MEN1KMT2AMAPTLMNACYP19A1
SCHEMBL23292646 0.86 HSPB1 (0.66) MEN1KMT2AMAPTLMNACYP19A1
SCHEMBL23292617 0.85 MAPT (0.53) MEN1KMT2AMAPTLMNACYP19A1
SCHEMBL23292631 0.83 MEN1 (0.46) MEN1KMT2AMAPTTBXA2RCRHBP
SCHEMBL30965497 0.83 MEN1 (0.46) MEN1KMT2AMAPTTBXA2RCRHBP
SCHEMBL23041348 0.83 KMT2A (0.54) MEN1KMT2AMAPTLMNACYP19A1
SCHEMBL7112512 0.83 PTGS1 (0.47) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL29625925 0.83 KMT2A (0.54) MEN1KMT2AMAPTLMNACYP19A1

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-112513032-B 4-Substituted phenyl-1, 3, 5-triazine derivatives as modulators of TRK receptors 阿泽克制药公司 2024-07-02 CN disclosed