SCHEMBL16883877

SCHEMBL16883877

C=Cc1c(/C=C\C)n(C)c2cc3c4ccccc4n(C)c3cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 4/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PABPC1 P11940 1/20 0.40
▸ KIF11 P52732 1/20 0.39
▸ LMNA P02545 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ATM Q13315 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ AHR P35869 1/20 0.34
▸ BCHE P06276 2/20 0.34

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
SCHEMBL18626392 0.88 LMNA (0.44) GPR3MAPTALDH1A1HPGDL3MBTL1
SCHEMBL24223787 0.83 LMNA (0.34) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL20708376 0.81 GPR3 (0.39) GPR3KDM4EMAPTALDH1A1HPGD
SCHEMBL22596755 0.80 L3MBTL1 (0.34) GPR3KDM4EMAPTALDH1A1HPGD
SCHEMBL19275598 0.80 GPR3 (0.38) GPR3KDM4EMAPTALDH1A1HPGD
SCHEMBL23204779 0.78 TDP1 (0.33) GPR3MAPTALDH1A1HPGDL3MBTL1
SCHEMBL19860208 0.77 GPR3 (0.48) GPR3KDM4EMAPTALDH1A1HPGD
SCHEMBL18323686 0.76 GPR3 (0.44) GPR3KDM4EMAPTALDH1A1HPGD
SCHEMBL19365233 0.75 GPR3 (0.50) GPR3KDM4EMAPTALDH1A1HPGD
SCHEMBL18874657 0.75 ALDH1A1 (0.43) GPR3KDM4EMAPTALDH1A1HPGD

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-20150194622-A1 BISCARBAZOLE DERIVATIVE HOST MATERIALS AND RED EMITTER FOR OLED EMISSIVE REGION IDEMITSU KOSAN CO., LTD. (JP) 2015-07-09 — — US disclosed
US-8962638-B2 Piperidine inhibitors of janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2015-02-24 — — US disclosed
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