SCHEMBL38498

SCHEMBL38498

O=C(NCCc1ccc2ccccc2c1)c1ccc(-c2cccs2)nc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.63
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PSMD14 O00487 2/20 0.46
STAMBP O95630 2/20 0.46
COPS5 Q92905 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
HPGD P15428 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CAMK2D Q13557 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.42

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
SCHEMBL38227 0.78 HPGDS (1.00) HPGDSSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL13876385 0.76 HPGDS (0.64) HPGDSSMN1; SMN2NPC1RAB9AHTT
SCHEMBL14974164 0.76 HPGDS (1.00) HPGDSSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL14974013 0.75 HPGDS (1.00) HPGDSKMT2ASIRT2MEN1
SCHEMBL38497 0.75 HPGDS (1.00) HPGDSKMT2ASIRT2MEN1
SCHEMBL5969148 0.74 ESRRG (0.60) NPC1RAB9AKMT2AMEN1
SCHEMBL19654542 0.74 NPC1 (0.65) HPGDSSMN1; SMN2NPC1RAB9APSMD14
SCHEMBL14457462 0.73 HPGDS (0.60) HPGDSSMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL3240913 0.72 NPC1 (0.69) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL3232164 0.72 ESRRG (0.59) SMN1; SMN2NPC1RAB9AKMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576536-A2 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS The University of Queensland (AU) 2013-04-10 EP disclosed
WO-2011150457-A2 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2011-12-08 WO disclosed