SCHEMBL8315512

SCHEMBL8315512

CCOCCCNc1ccccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
KDM4E B2RXH2 5/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
NSD2 O96028 1/20 0.47
HSP90AA1 P07900 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.43
GBA1 P04062 1/20 0.43
PTGER4 P35408 1/20 0.43
LMNA P02545 2/20 0.43
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 4/20 0.41
HTT P42858 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
SCHEMBL10498572 0.90 PTGER4 (0.40) SMN1; SMN2KDM4ERAB9AMAPTMAPK1
SCHEMBL7745287 0.83 PTGER4 (0.51) SMN1; SMN2KDM4ERAB9AMAPTMAPK1
SCHEMBL29636805 0.80 TLR8 (0.54) SMN1; SMN2KDM4ERAB9AMAPTTDP1
SCHEMBL659537 0.80 TLR8 (0.54) SMN1; SMN2KDM4ERAB9AMAPTTDP1
SCHEMBL867417 0.80 PRSS1 (0.47) SMN1; SMN2KDM4EMAPTTDP1TP53
SCHEMBL215272 0.80 HDAC3 (0.50) SMN1; SMN2KDM4EMAPTTP53LMNA
SCHEMBL1170549 0.79 TLR8 (0.49) SMN1; SMN2RAB9AMAPTNPC1NPSR1
SCHEMBL29922455 0.79 TLR8 (0.49) SMN1; SMN2RAB9AMAPTNPC1NPSR1
SCHEMBL1421397 0.78 PTGER4 (0.47) SMN1; SMN2KDM4ERAB9AMAPTMAPK1
SCHEMBL8720375 0.78 HDAC3 (0.53) SMN1; SMN2KDM4EMAPTTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958294-A1 2-(1,2,4-TRIAZOLE-1-YL)-1,3,4-THIADIAZOLE DERIVATIVES HAVING AN EFFECT ON THE C.N.S. AND THE HEART EGIS GYOGYSZERGYAR (HU) 1999-11-24 EP disclosed
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
WO-1998030561-A1 2-(1,2,4-TRIAZOLE-1-YL)-1,3,4-THIADIAZOLE DERIVATIVES HAVING AN EFFECT ON THE C.N.S. AND THE HEART EGIS Gyógyszergyár Rt. (HU) 1998-07-16 WO disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed