SCHEMBL27918976

SCHEMBL27918976

CCCCc1ccc(-c2nnco2)c(CCCC)c1CCCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 9/20 0.43
▸ TSHR P16473 4/20 0.36
▸ TP53 P04637 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CTRC Q99895 1/20 0.33

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
SCHEMBL1824826 0.79 NOTUM (0.50) NOTUMTSHRTP53NPC1RAB9A
SCHEMBL30044969 0.73 TYR (0.50) TSHRTP53NPC1RAB9AALDH1A1
SCHEMBL4633219 0.73 TYR (0.50) TSHRTP53NPC1RAB9AALDH1A1
SCHEMBL28228730 0.72 TP53 (0.43) TSHRTP53NPC1RAB9ASMN1; SMN2
SCHEMBL1824828 0.69 NOTUM (0.56) NOTUMTSHRTP53NPC1RAB9A
SCHEMBL2951052 0.69 NOTUM (0.41) NOTUMTSHRTP53NPC1RAB9A
SCHEMBL8675000 0.68 PSMB5 (0.42) TSHR
SCHEMBL31230428 0.67 TYR (0.53) TSHRTP53LMNAKDM4EALDH1A1
SCHEMBL1133572 0.67 TYR (0.53) TSHRTP53LMNAKDM4EALDH1A1
SCHEMBL674883 0.67 ELANE (0.36) KDM4EALDH1A1HPGDHSD17B10CTRC

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
CN-103328420-A Novel anthracene compound and organic electroluminescence element using same JNC CORP 2013-09-25 — — CN disclosed
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