SCHEMBL11220512

SCHEMBL11220512

S=C(CCCc1cccc2ccccc12)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MCL1 Q07820 3/20 0.44
GPR84 Q9NQS5 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
MTNR1A P48039 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACP3 P15309 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL5013834 0.81 SIGMAR1 (0.46) CTNNB1TDP1MCL1GPR84SIGMAR1
SCHEMBL2314388 0.78 MEN1 (0.66) TDP1MCL1MTNR1AMEN1KMT2A
SCHEMBL9800436 0.76 CYP1A2 (0.58) TDP1MCL1GPR84SIGMAR1MTNR1A
SCHEMBL5830948 0.76 GPR84 (0.59) TDP1MCL1GPR84SIGMAR1MTNR1A
SCHEMBL17289204 0.76 MTNR1A (0.46) TDP1MCL1GPR84SIGMAR1MTNR1A
SCHEMBL1284856 0.75 MTNR1A (0.62) TDP1MCL1MTNR1AMEN1KMT2A
SCHEMBL6322938 0.73 TDP1 (0.51) TDP1MCL1GPR84MTNR1AMEN1
SCHEMBL22129565 0.73 TDP1 (0.61) TDP1MCL1MTNR1AMEN1KMT2A
SCHEMBL30900805 0.73 TDP1 (0.61) TDP1MCL1MTNR1AMEN1KMT2A
SCHEMBL11413432 0.73 GPR84 (0.49) CTNNB1TDP1MCL1GPR84MTNR1A

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-57059856-A None JP disclosed
JP-S5759856-A BENZENE DERIVATIVE OTSUKA PHARMACEUT CO LTD 1982-04-10 JP disclosed