SCHEMBL8931944

SCHEMBL8931944

N#Cc1ccccc1-c1ccc2c(c1)ncn2CCCCCCCC(=O)OCCc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
QPCT Q16769 1/20 0.35
QPCTL Q9NXS2 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 3/20 0.35
ALOX15 P16050 2/20 0.35
TP53 P04637 2/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL8931800 0.82 EGLN3 (0.46) HDAC1USP2MAPK1GABRA1GABRG2
SCHEMBL7016786 0.77 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7022829 0.74 GABRA1 (0.46) USP2MAPK1GABRA1GABRG2GABRB3
SCHEMBL8931804 0.71 GABRA1 (0.42) USP2MAPK1GABRA1GABRG2GABRB3
SCHEMBL8868152 0.68 SMN1; SMN2 (0.50) HDAC1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13587963 0.66 SMN1; SMN2 (0.50) SMN1; SMN2MAPTKDM4EALDH1A1HTT
Hydrochloric Acid SCHEMBL10659395 0.66 DGKA (0.55) HDAC1USP2SMN1; SMN2KDM4EALDH1A1
SCHEMBL8931820 0.66 GABRA1 (0.45) USP2MAPK1GABRA1GABRG2GABRB3
SCHEMBL8931989 0.65 GABRA1 (0.48) USP2MAPK1GABRA1GABRG2GABRB3
SCHEMBL11532390 0.65 CA12 (0.58) MAPK1SMN1; SMN2ALDH1A1HTTALOX15

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-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed