SCHEMBL16623288

SCHEMBL16623288

Cc1cc(=O)oc2cc(NC(=O)OCc3nc4ccccc4n3N)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.59
RAB9A P51151 6/20 0.59
ALDH1A1 P00352 5/20 0.59
HPGD P15428 5/20 0.59
KDM4E B2RXH2 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HSD17B10 Q99714 1/20 0.59
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
CA12 O43570 4/20 0.51
CA9 Q16790 4/20 0.51
CA1 P00915 3/20 0.51
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
GLA P06280 1/20 0.46

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
SCHEMBL121022 0.78 RAB9A (0.61) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL119583 0.78 ALDH1A1 (0.61) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL119317 0.78 NPC1 (0.60) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL121373 0.76 NPC1 (0.67) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL120086 0.76 ALDH1A1 (0.67) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL31679665 0.76 NPC1 (0.67) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL120736 0.76 ALDH1A1 (0.67) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL12987100 0.76 ALDH1A1 (1.00) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL11888139 0.74 KDM4E (0.74) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL26499781 0.74 KDM4E (0.73) NPC1RAB9AALDH1A1HPGDKDM4E

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
EP-2857018-A1 Treatment or prophylaxis of proliferative conditions University Court of The University of Dundee (GB) 2015-04-08 EP disclosed