SCHEMBL27968366

SCHEMBL27968366

CCc1ccc(Cc2ccccc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
CALM1 P0DP23 1/20 0.46
CYP11B1 P15538 4/20 0.45
CYP11B2 P19099 4/20 0.45
TP53 P04637 1/20 0.43
LTA4H P09960 4/20 0.42
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR2B P41595 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
SCHEMBL20411974 0.88 HRH3 (0.45) MAPTKMT2ACYP11B1CYP11B2TP53
SCHEMBL19415197 0.85 KMT2A (0.52) MAPTKMT2ACALM1TP53LTA4H
SCHEMBL9430612 0.81 CALM1 (0.46) MAPTKMT2ACALM1CYP11B1CYP11B2
SCHEMBL5109315 0.81 CALM1 (0.46) CALM1CYP11B1CYP11B2LTA4HLMNA
SCHEMBL18069635 0.80 HRH3 (0.45) MAPTKMT2ACYP11B1CYP11B2TP53
SCHEMBL18763010 0.80 TP53 (0.46) MAPTKMT2ACALM1TP53LTA4H
SCHEMBL487617 0.79 HRH3 (0.55) MAPTKMT2ALMNACYP1A2CYP2D6
SCHEMBL30398570 0.79 HRH3 (0.55) MAPTKMT2ALMNACYP1A2CYP2D6
SCHEMBL22957984 0.78 LTA4H (0.40) MAPTKMT2ACALM1CYP11B1CYP11B2
SCHEMBL18924305 0.77 LTA4H (0.43) MAPTKMT2ACALM1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103214471-B The preparation method of compound with Na-dependent glucose transporter inhibitory activity 田边三菱制药株式会社 2018-02-06 CN disclosed
CN-104109155-A Novel compounds TANABE SEIYAKU CO 2014-10-22 CN disclosed
CN-103819465-A Novel compound MITSUBISHI TANABE PHARMA CORP 2014-05-28 CN disclosed