SCHEMBL6265204

SCHEMBL6265204

CC1(c2cnccn2)NN=C(c2ccccc2)S1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 11/20 0.37
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SLC27A2 O14975 1/20 0.34
▸ KDR P35968 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ KIF11 P52732 1/20 0.31
▸ NPY5R Q15761 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
SCHEMBL6264046 0.88 ALDH1A1 (0.41) ADAMTS5ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6266093 0.84 ADAMTS5 (0.40) ADAMTS5MEN1ALDH1A1LMNAMAPK1
SCHEMBL6265252 0.80 ADAMTS5 (0.46) ADAMTS5MEN1ALDH1A1LMNAMAPK1
SCHEMBL6272309 0.79 ADAMTS5 (0.38) ADAMTS5MEN1ALDH1A1LMNAMAPK1
SCHEMBL6276393 0.76 ADAMTS5 (0.44) ADAMTS5MEN1ALDH1A1LMNAMAPK1
SCHEMBL6265491 0.75 ADAMTS5 (0.45) ADAMTS5MEN1ALDH1A1LMNAKMT2A
SCHEMBL6264285 0.75 ADAMTS5 (0.43) ADAMTS5MEN1ALDH1A1LMNAMAPK1
SCHEMBL6271575 0.74 ADAMTS5 (0.35) ADAMTS5ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL6265246 0.73 ADAMTS5 (0.42) ADAMTS5MEN1ALDH1A1LMNAMAPK1
SCHEMBL6260436 0.70 MECP2 (0.47) ADAMTS5MEN1ALDH1A1LMNAMAPK1

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