SCHEMBL8580978

SCHEMBL8580978

O=c1c2ccccc2[nH]c2c1ccc1ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.72
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 3/20 0.61
HTT P42858 3/20 0.61
GAA P10253 3/20 0.61
HPGD P15428 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
GLA P06280 2/20 0.61
LMNA P02545 1/20 0.61
ATM Q13315 1/20 0.61
POLB P06746 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
MAOA P21397 1/20 0.55
PBRM1 Q86U86 1/20 0.54
CDK4 P11802 3/20 0.53
CCND1 P24385 3/20 0.53
CCNB2 O95067 2/20 0.53
CCNE2 O96020 2/20 0.53
PRKCG P05129 2/20 0.53
PRKCB P05771 2/20 0.53

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
SCHEMBL23530348 0.88 KIF11 (0.59) KIF11KDM4EALDH1A1HTTGAA
SCHEMBL543330 0.87 KIF11 (0.59) KIF11KDM4EALDH1A1HTTGAA
SCHEMBL29371308 0.84 KIF11 (1.00) KIF11KDM4EALDH1A1HTTHPGD
SCHEMBL70791 0.84 KIF11 (1.00) KIF11KDM4EALDH1A1HTTHPGD
SCHEMBL29406461 0.84 KIF11 (1.00) KIF11KDM4EALDH1A1HTTHPGD
Carbazole SCHEMBL7773834 0.82 KIF11 (0.96) KIF11KDM4EALDH1A1HTTGAA
SCHEMBL30313481 0.82 KIF11 (0.96) KIF11KDM4EALDH1A1HTTHPGD
SCHEMBL14552258 0.82 ALDH1A1 (0.68) KIF11KDM4EALDH1A1HTTGAA
Naphthalene SCHEMBL29102429 0.82 KIF11 (0.96) KIF11KDM4EALDH1A1HTTHPGD
Ammonia Solution, Strong SCHEMBL28982240 0.81 KIF11 (0.92) KIF11KDM4EALDH1A1HTTHPGD

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
JP-10237440-A None JP disclosed
JP-H10237440-A ORGANIC ELECTROLUMINESCENT ELEMENT MITSUI CHEM INC 1998-09-08 JP disclosed