SCHEMBL11010902

SCHEMBL11010902

Nc1nc(CCc2ccccc2)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.45
MAOB P27338 3/20 0.45
GAA P10253 2/20 0.45
BACE1 P56817 1/20 0.45
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
GFER P55789 1/20 0.43
RAB9A P51151 2/20 0.43
MPO P05164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNH2 Q12809 1/20 0.42
NPC1 O15118 1/20 0.42
NOS1 P29475 1/20 0.42
CHIA Q9BZP6 1/20 0.42
DAO P14920 1/20 0.41
TSHR P16473 1/20 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
SCHEMBL960185 0.83 LTB4R (0.49) GAALMNAGLAGFERMPO
SCHEMBL17279708 0.79 ALPL (0.53) LMNARAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL7484753 0.74 MPO (0.46) MAOAGAALMNAGFERRAB9A
SCHEMBL16341398 0.74 GRIN2B (0.57) LMNAGLAALDH1A1MAPTSMN1; SMN2
SCHEMBL30939057 0.74 ALPL (0.44) LMNARAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8656235 0.73 CASP1 (0.44) GAALMNAGFERALDH1A1MAPT
SCHEMBL17279768 0.73 ADORA3 (0.45) RAB9AALDH1A1MAPTSMN1; SMN2KCNH2
SCHEMBL16231996 0.73 DAO (0.51) RAB9ASMN1; SMN2NPC1DAO
SCHEMBL11603796 0.71 RAB9A (0.59) MAOAMAOBGAAGFERRAB9A
SCHEMBL7659167 0.71 PARP1 (0.46) RAB9ANPC1DAO

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-4536508-A ANTIALLERGENS AND ANTIINFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 1985-08-20 US disclosed
EP-0016565-B1 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1984-05-23 EP disclosed
EP-0016565-A1 1,2,4-Triazole derivatives, processes for their production and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1980-10-01 EP disclosed