SCHEMBL6278562

SCHEMBL6278562

CC1(c2ccco2)NN=C(c2ccc(Cl)cc2)S1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 6/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ MAPT P10636 5/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CASP3 P42574 1/20 0.33
▸ RECQL P46063 2/20 0.33
▸ MECP2 P51608 1/20 0.31
▸ MBD2 Q9UBB5 1/20 0.31
▸ POLB P06746 2/20 0.31
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL6277126 0.88 ALDH1A1 (0.45) ADAMTS5KDM4EMAPTALDH1A1NPC1
SCHEMBL6266369 0.87 ADAMTS5 (0.39) ADAMTS5KDM4EMAPTALDH1A1NPC1
SCHEMBL6277544 0.85 KDM4E (0.34) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL6262688 0.80 KMT2A (0.36) KDM4EMAPTALDH1A1NPC1HPGD
SCHEMBL6278050 0.79 SIRT1 (0.38) ADAMTS5KDM4EMAPTALDH1A1NPC1
SCHEMBL6274201 0.78 ADAMTS5 (0.37) ADAMTS5KDM4EMAPTALDH1A1HPGD
SCHEMBL6260436 0.74 MECP2 (0.47) ADAMTS5KDM4EMAPTALDH1A1NPC1
SCHEMBL6260546 0.74 ADAMTS5 (0.36) ADAMTS5KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL6271657 0.73 KDM4E (0.44) ADAMTS5KDM4EMAPTALDH1A1HPGD
SCHEMBL6268735 0.73 GCGR (0.39) ADAMTS5KDM4EMAPTALDH1A1RAB9A

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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