SCHEMBL6276922

SCHEMBL6276922

CC1(c2ccc([N+](=O)[O-])cc2)NN=C(c2ccccc2)S1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ ADAMTS5 Q9UNA0 5/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ PKM P14618 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 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
SCHEMBL6278729 0.88 ACHE (0.47) KMT2AMEN1NPC1RAB9AADAMTS5
SCHEMBL6277990 0.80 ADAMTS5 (0.47) KMT2AMEN1NPC1RAB9AADAMTS5
SCHEMBL6260436 0.80 MECP2 (0.47) KMT2AMEN1NPC1RAB9AADAMTS5
SCHEMBL6274347 0.79 ADAMTS5 (0.47) KMT2AMEN1NPC1RAB9AADAMTS5
SCHEMBL6275485 0.78 MEN1 (0.48) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL6274203 0.73 ALDH1A1 (0.49) NPC1RAB9AADAMTS5ALDH1A1LMNA
SCHEMBL6272309 0.72 ADAMTS5 (0.38) KMT2AMEN1NPC1RAB9AADAMTS5
SCHEMBL6277236 0.72 ADAMTS5 (0.52) NPC1RAB9AADAMTS5ALDH1A1LMNA
SCHEMBL6387706 0.72 ADAMTS5 (0.40) KMT2AMEN1ADAMTS5ALDH1A1LMNA
SCHEMBL6274028 0.70 ADAMTS5 (0.75) KMT2AMEN1ADAMTS5ALDH1A1LMNA

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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