SCHEMBL21140183

SCHEMBL21140183

C=C(N)/C=c1\c(=C/C)sc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.35
▸ LIMK1 P53667 2/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL23861329 0.80 MAPT (0.35) GPR3KDM4ELMNAMAPTMEN1
SCHEMBL19658375 0.79 GPR3 (0.46) GPR3LIMK1ALDH1A1KDM4EALOX15
SCHEMBL20824240 0.79 GPR3 (0.39) GPR3LIMK1IKBKBALDH1A1KDM4E
SCHEMBL23544032 0.76 GPR3 (0.36) GPR3ALDH1A1KDM4EALOX15LMNA
SCHEMBL17950785 0.76 GPR3 (0.39) GPR3ALDH1A1KDM4ELMNACASP1
SCHEMBL20663041 0.75 GPR3 (0.35) GPR3ALDH1A1KDM4EALOX15LMNA
SCHEMBL23430470 0.72 GPR3 (0.39) GPR3ALDH1A1KDM4EALOX15LMNA
SCHEMBL24589386 0.71 GPR3 (0.44) GPR3LIMK1ALDH1A1KDM4EALOX15
SCHEMBL18560415 0.70 GPR3 (0.40) GPR3ALDH1A1KDM4EALOX15LMNA
SCHEMBL18881048 0.70 ALDH1A1 (0.41) GPR3ALDH1A1KDM4EALOX15LMNA

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
EP-3502107-A1 1-AMINODIBENZOFURAN-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2019-06-26 — — EP disclosed
Send feedback