SCHEMBL9328708

SCHEMBL9328708

Cc1nc(C(=O)NCCCO)cs1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.63
KDM4E B2RXH2 4/20 0.56
HDAC3 O15379 5/20 0.56
HDAC1 Q13547 5/20 0.56
HDAC6 Q9UBN7 4/20 0.56
ALDH1A1 P00352 3/20 0.51
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
TLR7 Q9NYK1 3/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL9331673 0.95 HIF1A (0.62) HIF1AKDM4EHDAC3HDAC1HDAC6
SCHEMBL9329351 0.90 HIF1A (0.67) HIF1AKDM4EHDAC3HDAC1HDAC6
SCHEMBL11922674 0.83 HIF1A (0.66) HIF1AKDM4EHDAC3HDAC1HDAC6
SCHEMBL2891414 0.82 HDAC3 (0.69) HIF1AKDM4EHDAC3HDAC1HDAC6
SCHEMBL9331152 0.82 HIF1A (0.58) HIF1AKDM4EHDAC3HDAC1HDAC6
SCHEMBL2642829 0.81 HIF1A (0.60) HIF1AKDM4EHDAC3HDAC1HDAC6
SCHEMBL16523499 0.81 HIF1A (0.60) HIF1AKDM4EHDAC3HDAC1HDAC6
SCHEMBL26374347 0.81 HDAC3 (0.49) HIF1AHDAC3HDAC1HDAC6ALDH1A1
SCHEMBL15296755 0.80 HIF1A (0.59) HIF1AKDM4EHDAC3HDAC1HDAC6
SCHEMBL14206509 0.79 HDAC3 (0.45) HIF1AKDM4EHDAC3HDAC1HDAC6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300400-B1 Nitric acid ester derivative FUJISAWA PHARMACEUTICAL CO (JP) 1994-03-16 EP disclosed
CN-1021046-C PREPARING METHOD FOR NITRIC ESTER DERIVATIVE FUJISAWA PHARMACEUTICAL CO (JP) 1993-06-02 CN disclosed
US-4923886-A VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-08 US disclosed
CN-1031226-A Nitrate derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1989-02-22 CN disclosed
EP-0300400-A1 Nitric acid ester derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 EP disclosed