SCHEMBL9764853

SCHEMBL9764853

O=CN(O)CCc1ccc2c(c1)sc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR3 P46089 1/20 0.39
CYP1A2 P05177 1/20 0.35
HDAC2 Q92769 3/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
ALOX15 P16050 2/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
ALOX12 P18054 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL9764833 0.80 ALOX5 (0.43) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL9764817 0.79 ALDH1A1 (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL9764837 0.78 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL9764870 0.77 ALDH1A1 (0.38) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19768715 0.77 GPR3 (0.56) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL9764820 0.76 ALOX5 (0.45) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL10593682 0.75 CYP1A2 (0.43) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL10559630 0.75 ALOX5 (0.42) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL25721910 0.72 ALDH1A1 (0.50) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL15315656 0.72 GPR3 (0.54) ALDH1A1MAPTHPGDRAB9ASMN1; 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-0422079-A4 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE 1991-08-21 EP disclosed
EP-0422079-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1991-04-17 EP disclosed
WO-1989012636-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1989-12-28 WO disclosed