SCHEMBL14609783

SCHEMBL14609783

Cc1ccc(-c2[nH]nc(S)c2-c2cccc3[nH]ccc23)c(O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.37
▸ MEN1 O00255 6/20 0.37
▸ NPC1 O15118 5/20 0.37
▸ RAB9A P51151 5/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ ALOX15 P16050 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 4/20 0.37
▸ NFKB1 P19838 3/20 0.37
▸ NFKB2 Q00653 3/20 0.37
▸ RELA Q04206 3/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL1148560 0.88 PIK3CD (0.38) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL14425301 0.65 HSP90AA1 (0.41) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL23259083 0.64 ASH1L (0.59) PIK3CDPIK3CBPIP4K2APIP4K2BPIP4K2C
SCHEMBL13115632 0.64 PIK3CD (0.64) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL11992420 0.63 PIP4K2A (0.58) PIK3CDPIK3CBPIP4K2APIP4K2BPIP4K2C
SCHEMBL27454514 0.63 PIK3CD (0.57) PIK3CDPIK3CBPIP4K2APIP4K2BPIP4K2C
SCHEMBL13100013 0.62 SIRT5 (0.32) KMT2AMEN1SMN1; SMN2ALOX15LMNA
SCHEMBL20540332 0.62 PIK3CD (0.64) PIK3CDPIK3CBDHFRASH1LCSNK2B
SCHEMBL1343116 0.62 HSP90AA1 (0.38) KMT2AMEN1ALOX15TP53HPGD
SCHEMBL27504679 0.62 PIK3CD (0.51) RAB9AHPGDLMNAPIK3CDPIK3CB

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-2007021966-A1 PYRAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-02-22 — — WO disclosed
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