SCHEMBL9961014

SCHEMBL9961014

C=CCc1nnc(-c2ccccc2)o1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 1/20 0.61
RAB9A P51151 8/20 0.59
SMN1; SMN2 Q16637 7/20 0.59
NPC1 O15118 6/20 0.59
HPGD P15428 2/20 0.59
TSHR P16473 1/20 0.59
GPR55 Q9Y2T6 1/20 0.59
POLB P06746 2/20 0.54
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.49
KCNH2 Q12809 1/20 0.49
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ATAD2 Q6PL18 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL9961008 0.81 RAB9A (0.58) NOTUMALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL27914869 0.79 ALDH1A1 (0.67) NOTUMALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL6404013 0.79 ALDH1A1 (0.57) NOTUMALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL19343385 0.79 RAB9A (0.81) NOTUMALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL6408205 0.78 ALDH1A1 (0.56) NOTUMALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL7976958 0.76 ALDH1A1 (0.62) NOTUMALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL8235977 0.76 ALDH1A1 (0.67) NOTUMALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL485159 0.76 ALDH1A1 (1.00) NOTUMALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL28582160 0.76 NOTUM (1.00) NOTUMALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL4652480 0.76 NOTUM (1.00) NOTUMALDH1A1LMNARAB9ASMN1; SMN2

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
US-20150349267-A1 BLUE LUMINESCENT COMPOUNDS E I DU PONT DE NEMOURS AND COMPANY (US) 2015-12-03 US disclosed
WO-2012088316-A1 2-ALKYL-5-PHENYL OXADIAZOLE-CARBAZOLE HOSTS FOR GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2012-06-28 WO disclosed