SCHEMBL11530183

SCHEMBL11530183

C=Cc1cc(C)cc(=O)n1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.34
▸ NQO2 P16083 2/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ KDM4B O94953 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ DOHH Q9BU89 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ YTHDF2 Q9Y5A9 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NOX4 Q9NPH5 1/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ HAVCR2 Q8TDQ0 1/20 0.30

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
SCHEMBL11527661 0.81 NQO2 (0.37) NQO2CYP19A1NR1I2KDM4BCHRM1
SCHEMBL24853912 0.78 SMN1; SMN2 (0.36) GAAYTHDF2SMN1; SMN2
SCHEMBL24854647 0.75 GAA (0.32) GAA
SCHEMBL8521071 0.70 CYP1A2 (0.44) NQO2CYP19A1NR1I2KDM4BCHRM1
SCHEMBL11401212 0.67 NQO2 (0.35) NQO2CYP19A1NR1I2KDM4BCHRM1
SCHEMBL8957061 0.67 IDH1 (0.37) NQO2NR1I2KDM4BCHRM1TBXA2R
SCHEMBL16726621 0.67 — —
SCHEMBL13827862 0.64 PLA2G7 (0.34) NQO2CYP19A1KDM4EKMT2ASMN1; SMN2
SCHEMBL11399697 0.64 ALDH1A1 (0.47) GAANQO2KDM4EKMT2ASMN1; SMN2
SCHEMBL16684329 0.64 CCR1 (0.35) GAANQO2CYP19A1KDM4EKMT2A

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
US-4159202-A PHOTOCOPYING HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-26 — — US disclosed
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