SCHEMBL10708147

SCHEMBL10708147

O=C(O)NCCNC(=O)c1csc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.49
KMT2A Q03164 3/20 0.45
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PANK3 Q9H999 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MAPT P10636 1/20 0.40
HPGDS O60760 2/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL9328736 0.88 KDM4E (0.48) HIF1AKMT2AHDAC3HDAC1HDAC6
SCHEMBL3505795 0.84 MAOB (0.53) HIF1AKMT2AHDAC3HDAC1HDAC6
Hydrochloric Acid SCHEMBL5618243 0.83 KMT2A (0.51) HIF1AKMT2AHDAC3HDAC1HDAC6
SCHEMBL7218537 0.80 TLR7 (0.43) HIF1AHDAC3HDAC1HDAC6HDAC2
SCHEMBL11500010 0.78 NPSR1 (0.49) KMT2AKDM4EALDH1A1TLR7MAPT
SCHEMBL9331727 0.76 MEN1 (0.50) HIF1AKMT2AHDAC3HDAC1HDAC6
SCHEMBL299830 0.74 RAB9A (0.59) KMT2AKDM4EALDH1A1TLR7MAPT
SCHEMBL9329351 0.73 HIF1A (0.67) HIF1AHDAC3HDAC1HDAC6HDAC2
SCHEMBL27709048 0.73 RAB9A (0.37) HIF1AKMT2AKDM4EALDH1A1PANK3
SCHEMBL292888 0.73

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
US-4764522-A ANTIDEPRESSANT, ANTIPARKINSON DISEASE HOFFMANN-LA ROCHE INC. (US) 1988-08-16 US disclosed