SCHEMBL10917845

SCHEMBL10917845

CCSc1nc(NC)nc(SCC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.42
▸ ABCB1 P08183 2/20 0.37
▸ HTT P42858 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ APBA1 Q02410 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDE4A P27815 3/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ PDE7A Q13946 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
SCHEMBL17576150 0.95 HSP90AA1 (0.42) HSP90AA1ABCB1HTTMAPTPOLB
SCHEMBL10919452 0.92 LMNA (0.45) HSP90AA1ABCB1HTTMAPTPOLB
SCHEMBL18466904 0.87 HSP90AA1 (0.55) HSP90AA1ABCB1HTTMAPTPOLB
SCHEMBL17563604 0.86 HTT (0.42) HSP90AA1ABCB1HTTMAPTLMNA
SCHEMBL10923307 0.84 MAPK1 (0.41) HSP90AA1ABCB1HTTMAPTPOLB
SCHEMBL10921086 0.82 MEN1 (0.44) HSP90AA1HTTMAPTPOLBLMNA
SCHEMBL2492857 0.82 GAA (0.44) HTTMAPTPOLBLMNAL3MBTL1
SCHEMBL12039946 0.82 HSP90AA1 (0.54) HSP90AA1ABCB1HTTMAPTLMNA
SCHEMBL18680442 0.81 CYP1A2 (0.41) HSP90AA1ABCB1HTTMAPTLMNA
SCHEMBL10916716 0.81 CXCL12 (0.54) HSP90AA1HTTMAPTPOLBCACNA1B

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
EP-0174574-A2 Fungicidal agents on the basis of triazine derivatives BAYER AG (DE) 1986-03-19 — — EP disclosed
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