SCHEMBL13680931

SCHEMBL13680931

O=CCCc1csc(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.56
PIM1 P11309 8/20 0.49
SCN10A Q9Y5Y9 1/20 0.44
AVPR1B P47901 1/20 0.43
TP53 P04637 2/20 0.43
ADORA1 P30542 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13680956 0.83 SHMT2 (0.40) SHMT2PIM1TP53KDM4EALDH1A1
SCHEMBL4905450 0.83 SHMT2 (0.56) SHMT2PIM1SCN10AAVPR1BTP53
SCHEMBL27755468 0.83 SHMT2 (0.56) SHMT2PIM1SCN10AAVPR1BTP53
SCHEMBL13680929 0.83 ALDH1A1 (0.62) TP53KDM4EALDH1A1HPGDRAB9A
SCHEMBL13680930 0.83 LMNA (0.55) PIM1TP53KDM4EMAPTSMN1; SMN2
SCHEMBL2088997 0.82 SHMT2 (0.61) SHMT2PIM1SCN10AAVPR1BTP53
SCHEMBL2705784 0.80 KDM4E (0.65) SHMT2PIM1SCN10AAVPR1BADORA1
SCHEMBL4774884 0.80 SHMT2 (0.61) SHMT2PIM1SCN10AAVPR1BTP53
SCHEMBL4777890 0.80 SHMT2 (0.58) SHMT2PIM1SCN10AAVPR1BTP53
SCHEMBL13680957 0.79 KDM4E (0.50) TP53KDM4EALDH1A1HPGDRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed