SCHEMBL11051146

SCHEMBL11051146

COC(=O)Cn1c(SC)nc2c(C)csc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
PDE4B Q07343 3/20 0.45
PDE7A Q13946 3/20 0.45
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 5/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 2/20 0.35
HK1 P19367 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL11046960 0.77 ALDH1A1 (0.54) SMN1; SMN2PDE4BPDE7AALDH1A1MAPT
SCHEMBL11046962 0.70 HSD17B10 (0.44) SMN1; SMN2NPC1KDM4EALDH1A1MAPT
SCHEMBL3414928 0.69 NPSR1 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL7886055 0.69 MAPT (0.39) SMN1; SMN2PDE4BPDE7AKDM4EALDH1A1
SCHEMBL11048979 0.68 QPCT (0.52) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL19073030 0.67 KAT2B (0.43) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL30765704 0.67 KDM4E (0.43) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL31751071 0.66 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL31751753 0.66 SMN1; SMN2 (0.33) SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL11048982 0.63 KDM4E (0.37) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1

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
US-4442289-A ANTIASTHMA HOFFMANN-LA ROCHE INC. (US) 1984-04-10 US claimed
US-4442289-A ANTIASTHMA HOFFMANN-LA ROCHE INC. (US) 1984-04-10 US disclosed
US-4376121-A Antiallerigically-active imidazothienopyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1983-03-08 US disclosed