SCHEMBL21626509

SCHEMBL21626509

Nc1ncc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(=O)(=O)NC1CCC(O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 6/20 0.47
▸ MAPT P10636 5/20 0.47
▸ ALOX5AP P20292 3/20 0.46
▸ FEN1 P39748 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PIK3CD O00329 4/20 0.38
▸ PIK3CG P48736 4/20 0.38
▸ PIK3CB P42338 3/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ PIK3R2 O00459 1/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ PIK3R3 Q92569 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
SCHEMBL21623545 1.00 TP53 (0.47) TP53MAPTALOX5APFEN1LMNA
SCHEMBL21623544 1.00 TP53 (0.47) TP53MAPTALOX5APFEN1LMNA
SCHEMBL21626508 0.88 CYP1A2 (0.46) TP53MAPTALOX5APFEN1LMNA
SCHEMBL21623077 0.84 MAPT (0.56) TP53MAPTALOX5APFEN1LMNA
SCHEMBL21623359 0.84 MAPT (0.56) TP53MAPTALOX5APFEN1LMNA
SCHEMBL21623078 0.84 MAPT (0.56) TP53MAPTALOX5APFEN1LMNA
SCHEMBL21623379 0.82 MAPT (0.68) TP53MAPTALOX5APFEN1LMNA
SCHEMBL21623151 0.82 MAPT (0.68) TP53MAPTALOX5APFEN1LMNA
SCHEMBL21623153 0.82 MAPT (0.68) TP53MAPTALOX5APFEN1LMNA
SCHEMBL15076479 0.80 TP53 (0.61) TP53MAPTLMNACYP1A2CYP3A4

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
EP-3597637-A1 INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-01-22 — — EP disclosed
Send feedback