SCHEMBL7979723

SCHEMBL7979723

[c]1ccccc1.c1ccc(-c2ncco2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.59
LTA4H P09960 2/20 0.57
HDAC4 P56524 1/20 0.47
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NOTUM Q6P988 2/20 0.37
BRD4 O60885 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
PIN1 Q13526 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CES1 P23141 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 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
SCHEMBL301469 0.88 HPGDS (0.71) HPGDSLTA4HHDAC4NPC1RAB9A
SCHEMBL28753616 0.86 HPGDS (0.69) HPGDSLTA4HHDAC4NPC1RAB9A
SCHEMBL533033 0.84 LTA4H (0.50) HPGDSLTA4HHDAC4BRD4CHRNA7
SCHEMBL5571760 0.84 LTA4H (0.70) HPGDSLTA4HHDAC4NPC1RAB9A
SCHEMBL1152211 0.81 HPGDS (0.50) HPGDSLTA4HHDAC4BRD4CHRNA7
SCHEMBL5323135 0.81 LTA4H (0.51) HPGDSLTA4HHDAC4NOTUMBRD4
Toluene SCHEMBL28904988 0.79 HPGDS (0.61) HPGDSLTA4HHDAC4NPC1RAB9A
Piperazine SCHEMBL3360835 0.78 HPGDS (0.59) HPGDSLTA4HHDAC4NPC1RAB9A
Perchlorate SCHEMBL9472619 0.78 HPGDS (0.59) HPGDSLTA4HHDAC4NPC1RAB9A
Thiophene SCHEMBL19467814 0.78 HPGDS (0.59) HPGDSLTA4HHDAC4NPC1RAB9A

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-6297267-B1 PROSTAGLANDIN I2 AGONIST. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-02 US disclosed