SCHEMBL10737745

SCHEMBL10737745

CC1(C)Cc2cccc(Cl)c2O1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
HTR1A P08908 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.38

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
SCHEMBL435089 0.78 LMNA (0.49) PKMNPSR1LMNAALDH1A1KDM4E
SCHEMBL30350713 0.77 LMNA (0.48) PKMNPSR1LMNAALDH1A1KDM4E
SCHEMBL15485106 0.77 LMNA (0.51) PKMNPSR1LMNAALDH1A1KDM4E
SCHEMBL8897383 0.77 LMNA (0.48) PKMNPSR1LMNAALDH1A1KDM4E
SCHEMBL18536181 0.77 ALDH1A1 (0.49) PKMNPSR1LMNAALDH1A1KDM4E
SCHEMBL29963948 0.77 LMNA (0.51) PKMNPSR1LMNAALDH1A1KDM4E
SCHEMBL569823 0.77 LMNA (0.48) PKMNPSR1LMNAALDH1A1KDM4E
SCHEMBL10610789 0.77 LMNA (0.48) PKMNPSR1LMNAALDH1A1KDM4E
SCHEMBL16127631 0.77 LMNA (0.48) PKMNPSR1LMNAALDH1A1KDM4E
SCHEMBL8122140 0.77 LMNA (0.48) PKMNPSR1LMNAALDH1A1KDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4647677-A Process for preparing 2,3-dihydro-7-aminobenzofurans MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1987-03-03 US claimed
JP-61033183-A None JP disclosed
EP-0236940-A2 Alpha-heterocycle substituted tolunitriles CIBA-GEIGY AG (CH) 1987-09-16 EP disclosed
US-4647677-A Process for preparing 2,3-dihydro-7-aminobenzofurans MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1987-03-03 US disclosed
US-4594438-A Dehydrohalogenation heating of 2,2,6-tri-halo-6-(1-halisobutyl)cyclohexanone MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1986-06-10 US disclosed
JP-S6133183-A PREPARATION OF 2,3-DIHYDRO-7-AMINOBENZOFURAN MITSUBISHI CHEM IND LTD 1986-02-17 JP disclosed
EP-0090976-B1 2,2-DIHALO-6-HALO-6(1-HALOISOBUTYL)CYCLOHEXANONE MITSUBISHI KASEI CORPORATION (JP) 1985-12-11 EP disclosed
US-4499306-A HALOGENATION OF 2-ISOBUTYLIDENE CYCLOHEXANONE IN PRESENCE OF CATALST MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1985-02-12 US disclosed
EP-0090976-A2 2,2-Dihalo-6-halo-6(1-haloisobutyl)cyclohexanone MITSUBISHI KASEI CORPORATION (JP) 1983-10-12 EP disclosed