SCHEMBL7413720

SCHEMBL7413720

C=C(C(=O)OCC)c1c(C(=O)OCC)n(C)c2ccc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.44
ELANE P08246 1/20 0.43
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42
HK1 P19367 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7509211 0.91 ALOX5 (0.47) ALOX5TSHRMAPTELANEKDM4E
SCHEMBL7414503 0.86 ALDH1A1 (0.49) ALOX5TSHRMAPTELANEKDM4E
SCHEMBL7407583 0.82 ALOX5 (0.44) ALOX5TSHRMAPTELANEKDM4E
SCHEMBL7407581 0.82 ALOX5 (0.44) ALOX5TSHRMAPTELANEKDM4E
SCHEMBL4615959 0.81 TSHR (0.53) ALOX5TSHRMAPTELANEKDM4E
SCHEMBL8689904 0.79 TSHR (0.48) ALOX5TSHRMAPTELANEKDM4E
SCHEMBL8689246 0.79 MAPT (0.48) ALOX5TSHRMAPTELANEKDM4E
SCHEMBL3926579 0.79 TSHR (0.46) ALOX5TSHRMAPTELANEKDM4E
SCHEMBL7511323 0.77 ALDH1A1 (0.50) ALOX5TSHRMAPTELANEKDM4E
SCHEMBL7413507 0.76 SMN1; SMN2 (0.46) ALOX5TSHRMAPTELANEKDM4E

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-6075021-A 1H-pyrido[3,4-b]indole-4-carboxamide derivatives, preparation and application thereof in therapeutics SYNTHELABO (FR) 2000-06-13 US disclosed