SCHEMBL9961008

SCHEMBL9961008

C=CCc1nnc(-c2cccc(Br)c2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.58
NPC1 O15118 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
TP53 P04637 2/20 0.58
TSHR P16473 2/20 0.58
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
CYP1A2 P05177 1/20 0.56
MAPT P10636 5/20 0.52
KDM4E B2RXH2 4/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PTK2 Q05397 1/20 0.52
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 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
SCHEMBL9961014 0.81 NOTUM (0.61) RAB9ANPC1SMN1; SMN2TSHRKMT2A
SCHEMBL29077294 0.80 ALDH1A1 (0.65) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL30566780 0.80 ALDH1A1 (0.65) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL23368032 0.80 RAB9A (0.63) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL6364718 0.79 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4651918 0.74 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL28641829 0.71 RAB9A (0.69) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL29811020 0.71 RAB9A (0.69) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL31043527 0.71 RAB9A (0.69) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL25177267 0.71 RAB9A (0.69) RAB9ANPC1SMN1; SMN2TP53TSHR

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
WO-2012088316-A1 2-ALKYL-5-PHENYL OXADIAZOLE-CARBAZOLE HOSTS FOR GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2012-06-28 WO disclosed