SCHEMBL30855366

SCHEMBL30855366

Cc1cc(O)cc(=O)n1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 2/20 0.35
GLA P06280 1/20 0.35
ALDH1A1 P00352 2/20 0.35
IDH1 O75874 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
CHRM1 P11229 1/20 0.31
ALOX15 P16050 1/20 0.31
MAOA P21397 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL15287245 0.74 POLB (0.55) POLBLMNAMEN1KMT2ACYP3A4
SCHEMBL27621311 0.73 POLB (0.53) POLBLMNAMEN1KMT2ACYP3A4
SCHEMBL12149758 0.70 POLB (0.50) POLBLMNAMEN1KMT2ACYP3A4
SCHEMBL24759505 0.70 POLB (0.50) POLBLMNAMEN1KMT2ACYP3A4
SCHEMBL28202038 0.68 IDH1 (0.44) LMNAALDH1A1IDH1KDM4EGAA
SCHEMBL27229506 0.67 POLB (0.67) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL13440540 0.67 NOTUM (0.47) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL7215257 0.66 POLB (0.46) POLBLMNAMEN1KMT2ACYP3A4
SCHEMBL4381208 0.65 ANPEP (0.45) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL4375863 0.65 POLB (0.62) POLBLMNAMEN1KMT2ACYP3A4

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-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 CN disclosed