SCHEMBL29236286

SCHEMBL29236286

O=C(C=Cc1c2ccccc2nc2ccccc12)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
TNFRSF1A P19438 1/20 0.53
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
ATM Q13315 1/20 0.52
ABCG2 Q9UNQ0 3/20 0.51
MAPT P10636 5/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46

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
SCHEMBL29236320 0.89 CYP3A4 (0.55) TNFRSF1ALMNASMN1; SMN2HPGDABCG2
SCHEMBL29236435 0.82 MAOB (0.63) TNFRSF1ASMN1; SMN2ABCG2MAPTMAOB
SCHEMBL3704563 0.77 KDM4E (0.54) LMNASMN1; SMN2HPGDATMMAPT
SCHEMBL2818992 0.77 KDM4E (0.54) LMNASMN1; SMN2HPGDATMMAPT
SCHEMBL6586583 0.76 TNFRSF1A (0.82) TNFRSF1ALMNASMN1; SMN2MAPTMAOA
SCHEMBL11797296 0.76 TNFRSF1A (0.82) TNFRSF1ALMNASMN1; SMN2MAPTMAOA
SCHEMBL6593521 0.76 TNFRSF1A (0.82) TNFRSF1ALMNASMN1; SMN2MAPTMAOA
SCHEMBL12948677 0.73 CYP3A4 (0.62) TNFRSF1ALMNASMN1; SMN2HPGDMAPT
SCHEMBL973107 0.73 CYP3A4 (0.62) TNFRSF1ALMNASMN1; SMN2HPGDMAPT
4-Fluoro Chalcone SCHEMBL657888 0.73 TNFRSF1A (0.82) TNFRSF1ALMNAHPGDMAPTMAOA

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-117986188-A Preparation method of 9-alkenyl substituted acridine derivative 郑州原理生物科技有限公司 2024-05-07 CN disclosed