SCHEMBL16268464

SCHEMBL16268464

O=C(O)c1ccc(CSc2nnnn2-c2ccc(F)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.80
▸ HPGD P15428 3/20 0.80
▸ ALDH1A1 P00352 9/20 0.68
▸ MAPK1 P28482 2/20 0.68
▸ MEN1 O00255 6/20 0.65
▸ KMT2A Q03164 6/20 0.65
▸ ATM Q13315 1/20 0.65
▸ PPARG P37231 1/20 0.61
▸ MAPT P10636 3/20 0.61
▸ LMNA P02545 3/20 0.57
▸ USP2 O75604 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ JAK2 O60674 1/20 0.57
▸ ALPL P05186 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ ALPG P10696 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL24019599 0.89 HPGD (1.00) TSHRHPGDALDH1A1MAPK1MEN1
SCHEMBL24019574 0.88 HPGD (0.80) TSHRHPGDALDH1A1MAPK1MEN1
SCHEMBL24209657 0.85 MAPT (0.82) TSHRHPGDALDH1A1MAPK1MEN1
SCHEMBL24019576 0.85 HPGD (0.74) TSHRHPGDALDH1A1MAPK1MEN1
SCHEMBL24210198 0.83 KDM4E (0.64) TSHRHPGDALDH1A1MAPK1MEN1
SCHEMBL24019594 0.82 TP53 (0.72) TSHRHPGDALDH1A1MAPK1MEN1
SCHEMBL24019575 0.81 ALDH1A1 (1.00) TSHRHPGDALDH1A1MAPK1MEN1
SCHEMBL24209749 0.81 KMT2A (0.82) TSHRALDH1A1MEN1KMT2AATM
SCHEMBL21951986 0.78 MAPT (0.71) TSHRHPGDALDH1A1MAPK1MEN1
SCHEMBL24209699 0.78 HPGD (0.79) HPGDALDH1A1MAPK1MEN1KMT2A

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
WO-2014191822-A1 BENZOIC ACID DERIVATIVES AS IL-15Rα RECEPTOR INHIBITORS WARSZAWSKI UNIWERSYTET MEDYCZNY (PL) 2014-12-04 — — WO disclosed
Send feedback