SCHEMBL5820191

SCHEMBL5820191

COc1ccc(C[C@H]2N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccc(F)cc3C23CCNCC3)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.40
TSHR P16473 1/20 0.39
KMT2A Q03164 3/20 0.38
KCNH2 Q12809 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MITF O75030 1/20 0.36
RAB9A P51151 1/20 0.36
MMP1 P03956 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL5599231 0.90 TSHR (0.42) TSHRKMT2AMAPTMEN1LMNA
SCHEMBL5599578 0.81 HSD11B1 (0.40) KCNH2NPSR1MAPTALDH1A1MITF
SCHEMBL5788788 0.73 ALDH1A1 (0.38) TSHRKMT2AKCNH2MAPTMEN1
SCHEMBL5787489 0.73 HSD11B1 (0.43) KMT2AMEN1MAPK1ALDH1A1
SCHEMBL5579047 0.72 KMT2A (0.44) KMT2AKCNH2MEN1SMN1; SMN2ALDH1A1
SCHEMBL5598982 0.71 KMT2A (0.43) TSHRKMT2AKCNH2MAPTMEN1
SCHEMBL5784831 0.71 KMT2A (0.42) TSHRKMT2AKCNH2MAPTMEN1
SCHEMBL5782925 0.70 LMNA (0.39) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL5783676 0.70 ALDH1A1 (0.46) TSHRKCNH2MAPTSMN1; SMN2LMNA
SCHEMBL5780895 0.69 PSEN1 (0.40) KCNH2

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
EP-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP claimed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 WO claimed