SCHEMBL18698185

SCHEMBL18698185

C=c1c(=C(C)C)sc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.46
▸ MAPT P10636 7/20 0.38
▸ KDM4E B2RXH2 6/20 0.38
▸ MEN1 O00255 6/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ ALOX15 P16050 2/20 0.37
▸ LMNA P02545 4/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL24589572 0.75 KMT2A (0.36) GPR3KDM4EMEN1KMT2AALDH1A1
SCHEMBL20934096 0.73 GPR3 (0.55) GPR3MAPTKDM4EMEN1KMT2A
SCHEMBL19937547 0.72 GPR3 (0.35) GPR3MAPTKDM4EALDH1A1RAB9A
SCHEMBL18411946 0.72 GPR3 (0.43) GPR3MAPTKDM4EMEN1KMT2A
SCHEMBL24589386 0.69 GPR3 (0.44) GPR3MAPTKDM4EMEN1KMT2A
Dibenzothiophene SCHEMBL11884108 0.67 GPR3 (0.67) GPR3MAPTKDM4EMEN1KMT2A
Dibenzothiophene SCHEMBL4378681 0.66 GPR3 (0.88) GPR3MAPTKDM4EMEN1KMT2A
Dibenzothiophene SCHEMBL14659543 0.66 GPR3 (1.00) GPR3MAPTKDM4EMEN1KMT2A
Dibenzothiophene SCHEMBL13294 0.66 GPR3 (1.00) GPR3MAPTKDM4EMEN1KMT2A
Dibenzothiophene SCHEMBL30167635 0.66 GPR3 (1.00) GPR3MAPTKDM4EMEN1KMT2A

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
EP-3150606-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLES CARRYING BENZOFURANE OR BENZOTHIOPHENE GROUPS FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO., LTD. (JP) 2017-04-05 — — EP disclosed
EP-3150604-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE CARRYING BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLYL GROUPS, CARBAZOLYL GROUPS, BENZOFURANE GROUPS OR BENZOTHIOPHENE GROUPS FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO., LTD. (JP) 2017-04-05 — — EP disclosed
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