SCHEMBL7836629

SCHEMBL7836629

O=C(O)CNc1cnc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.60
RAB9A P51151 8/20 0.57
NPC1 O15118 7/20 0.57
KDM4E B2RXH2 6/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
ALDH1A1 P00352 4/20 0.57
LMNA P02545 3/20 0.57
HPGD P15428 2/20 0.57
HTT P42858 2/20 0.57
GFER P55789 1/20 0.57
HDAC6 Q9UBN7 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57

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
SCHEMBL3398749 0.86 RAB9A (0.56) KDRRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL27679373 0.85 HDAC6 (0.58) KDRRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL1193017 0.80 NPC1 (0.63) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL651159 0.79 KDR (0.74) KDRRAB9ANPC1KDM4ESMN1; SMN2
Propionic Acid SCHEMBL9670302 0.79 HDAC1 (0.64) KDRRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL9093698 0.78 HDAC6 (0.67) KDRRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL14461305 0.78 HDAC1 (0.72) KDRRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL27866684 0.77 NPC1 (0.80) KDRRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL12895711 0.77 RAB9A (0.59) KDRRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL5797374 0.76 HDAC6 (0.59) KDRRAB9ANPC1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721944-B1 IMIDAZOLIDINE DERIVATIVE AND USE THEREOF SUNTORY LTD (JP) 2001-01-17 EP disclosed
US-5691335-A CARDIOVASCULAR DISORDERS SUNTORY LIMITED (JP) 1997-11-25 US disclosed
EP-0721944-A1 IMIDAZOLIDINE DERIVATIVE AND USE THEREOF SUNTORY LIMITED (JP) 1996-07-17 EP disclosed