SCHEMBL6274449

SCHEMBL6274449

CC1(c2ccco2)NN=C(CCc2ccccc2)S1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GPR52 Q9Y2T5 1/20 0.30
▸ KIF11 P52732 1/20 0.30
▸ CASR P41180 1/20 0.30

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
SCHEMBL6266369 0.75 ADAMTS5 (0.39) RAB9AALDH1A1KMT2AMEN1HPGD
SCHEMBL6262688 0.68 KMT2A (0.36) RAB9AALDH1A1KMT2AMEN1HPGD
SCHEMBL6277126 0.68 ALDH1A1 (0.45) RAB9AALDH1A1HPGDSIRT1NPC1
SCHEMBL6278562 0.67 ADAMTS5 (0.35) RAB9AALDH1A1KMT2AMEN1HPGD
SCHEMBL6278050 0.65 SIRT1 (0.38) RAB9AALDH1A1HPGDSIRT1NPC1
SCHEMBL719865 0.59 L3MBTL1 (0.46) RAB9AALDH1A1HPGDNPC1SMN1; SMN2
Ethane SCHEMBL21049496 0.56 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2
SCHEMBL62125 0.56 ALDH1A1 (0.69) ALDH1A1HPGDSMN1; SMN2
SCHEMBL9741303 0.56 ALDH1A1 (0.69) ALDH1A1HPGDSMN1; SMN2
Benzene SCHEMBL3440179 0.56 ALDH1A1 (0.69) ALDH1A1HPGDSMN1; SMN2

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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