SCHEMBL8086252

SCHEMBL8086252

Nc1cc(SCCO)nc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
TSHR P16473 3/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HSP90AB1 P08238 1/20 0.37
ALDH1A1 P00352 1/20 0.35
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL8084685 0.84 KMT2A (0.49) KMT2ATSHRLMNAL3MBTL1NPC1
SCHEMBL7569936 0.76 KMT2A (0.44) KMT2ATSHRLMNAL3MBTL1NPC1
SCHEMBL17400454 0.74 LMNA (0.43) KMT2ATSHRLMNAL3MBTL1NPC1
SCHEMBL14163375 0.73 KMT2A (0.42) KMT2ATSHRLMNAL3MBTL1NPC1
SCHEMBL6395597 0.72 LMNA (0.39) KMT2ATSHRLMNAL3MBTL1NPC1
SCHEMBL763785 0.69 HRH4 (0.37) KMT2ANPC1MAPTHSP90AB1
SCHEMBL9159235 0.68 ALDH1A1 (0.35) KMT2AL3MBTL1ALDH1A1
SCHEMBL1027789 0.67 TKT (0.33) KMT2ATSHRLMNAL3MBTL1NPC1
SCHEMBL10872276 0.65 NOS2 (0.38) CYP2D6CYP2C19
SCHEMBL23482211 0.65 KDM4E (0.44) KMT2ATSHRLMNAL3MBTL1NPC1

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
EP-0522964-B1 Compositions to arrest hair loss and to induce and stimulate hair growth based on 2,4-diamino-pyrimidin-3-oxide derivatives OREAL (FR) 2000-10-04 EP disclosed
EP-0522964-A1 Compositions to arrest hair loss and to induce and stimulate hair growth based on 2,4-diamino-pyrimidin-3-oxide derivatives L'OREAL (FR) 1993-01-13 EP disclosed