SCHEMBL6274220

SCHEMBL6274220

CCN1C(=O)C2(NN=C(c3ccccc3)S2)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 18/20 0.72
▸ MMP12 P39900 1/20 0.66
▸ MEN1 O00255 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ MAPT P10636 1/20 0.46
▸ XBP1 P17861 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MDM2 Q00987 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SLC27A2 O14975 1/20 0.46
▸ ADAMTS4 O75173 1/20 0.45
▸ CNR1 P21554 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41

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
SCHEMBL4987474 0.85 ADAMTS5 (0.64) ADAMTS5MMP12MEN1ALDH1A1LMNA
SCHEMBL15928247 0.84 ADAMTS5 (0.78) ADAMTS5MMP12MEN1ALDH1A1LMNA
SCHEMBL15930573 0.84 ADAMTS5 (0.64) ADAMTS5MMP12MEN1ALDH1A1LMNA
SCHEMBL4351598 0.84 ADAMTS5 (1.00) ADAMTS5MMP12MEN1ALDH1A1LMNA
SCHEMBL14756569 0.83 ADAMTS5 (0.71) ADAMTS5MMP12MEN1ALDH1A1LMNA
SCHEMBL6278160 0.82 ADAMTS5 (0.64) ADAMTS5MMP12MEN1ALDH1A1LMNA
SCHEMBL14756576 0.82 ADAMTS5 (0.62) ADAMTS5MMP12MEN1ALDH1A1LMNA
SCHEMBL29429414 0.82 ADAMTS5 (0.64) ADAMTS5MMP12MEN1ALDH1A1LMNA
SCHEMBL14744580 0.82 ADAMTS5 (0.62) ADAMTS5MMP12MEN1ALDH1A1LMNA
SCHEMBL14756575 0.82 ADAMTS5 (0.70) ADAMTS5MMP12MEN1ALDH1A1LMNA

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-2005092304-A2 ANTIFUNGAL AGENTS F2G LTD (GB) 2005-10-06 — — WO claimed
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