SCHEMBL31270962

SCHEMBL31270962

COCc1ccc(O)c(NC=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.49
ADRB2 P07550 12/20 0.46
ADRB1 P08588 7/20 0.46
ADRB3 P13945 6/20 0.46
DRD2 P14416 2/20 0.46
PGR P06401 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
DRD3 P35462 1/20 0.46
ERN1 O75460 2/20 0.40
SYK P43405 1/20 0.38
KDM1A O60341 1/20 0.38

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
SCHEMBL13074401 0.81 KDM5A (0.53) KDM5AADRB2ADRB1ADRB3DRD2
SCHEMBL24231715 0.80 ADRA2A (0.41) ADRB3ADRA1ACYP1A2CYP3A4TSHR
SCHEMBL27617887 0.77 GABRA1 (0.53) KDM5AADRB2ADRB1ADRB3DRD2
SCHEMBL16716731 0.76 ADRB2 (0.54) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL6812666 0.75 KDM5A (0.50) KDM5AADRB2ADRB1ADRB3DRD2
SCHEMBL7259369 0.75 ADRA2A (0.55) KDM5AADRB2ADRB1ADRB3DRD2
SCHEMBL11170458 0.75 KDM5A (0.58) KDM5AADRB2ADRB1ADRB3DRD2
SCHEMBL8245294 0.75 KDM5A (0.61) KDM5AADRB2ADRB1ADRB3DRD2
SCHEMBL17967100 0.75 CDK1 (0.59) ERN1
SCHEMBL10922240 0.74 KDM5A (0.45) KDM5AADRB2ADRB1ADRB3DRD2

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-119060893-A Preparation method and application of active substances from termite symbiotic actinomycetes 安徽农业大学 2024-12-03 CN disclosed