SCHEMBL7987568

SCHEMBL7987568

c1ccc(-c2cnccc2-c2ncco2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.54
RPS6KA3 P51812 3/20 0.45
LTA4H P09960 1/20 0.45
PIN1 Q13526 1/20 0.43
CYP1A2 P05177 5/20 0.42
CYP17A1 P05093 3/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2E1 P05181 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C8 P10632 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2A6 P11509 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2B6 P20813 2/20 0.41
CYP2C19 P33261 2/20 0.41

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
SCHEMBL9510279 0.84 HPGDS (0.58) HPGDSLTA4HPIN1ALDH1A1NPC1
SCHEMBL16587429 0.79 RAB9A (0.64) RPS6KA3CYP1A2ALDH1A1KDM4ENPC1
SCHEMBL21692148 0.78 RPS6KA3 (0.59) RPS6KA3CYP1A2CYP17A1ALDH1A1CYP2E1
SCHEMBL8716812 0.78 RPS6KA3 (0.65) RPS6KA3CYP1A2CYP17A1ALDH1A1CYP2E1
SCHEMBL1919495 0.78 HPGDS (0.52) HPGDSLTA4HPIN1BRD4IMPDH2
SCHEMBL301469 0.76 HPGDS (0.71) HPGDSLTA4HPIN1ALDH1A1KDM4E
SCHEMBL5792572 0.75 HPGDS (0.51) HPGDSLTA4HPIN1ALDH1A1NPC1
SCHEMBL28753616 0.74 HPGDS (0.69) HPGDSLTA4HPIN1ALDH1A1KDM4E
SCHEMBL21692174 0.73 RPS6KA3 (0.59) RPS6KA3CYP1A2CYP17A1ALDH1A1CYP2E1
SCHEMBL15312756 0.73 HPGDS (0.50) HPGDSLTA4HPIN1ALDH1A1MAPT

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-6294667-B1 SEPARATION OF THE FLUORESCENTLY LABELLED CARBOHYDRATE SUBSTANCES, BY VIRTUE OF THEIR DIFFERENT CHARGE-TO-MASS RATIOS OR OTHER FACTORS, ENABLING A LARGER NUMBER OF DIFFERENT LABELLED CARBOHYDRATE SUBSTANCES TO BE SEPARATED AMERSHAM INTERNATIONAL PLC 2001-09-25 US disclosed