SCHEMBL28201788

SCHEMBL28201788

C(=Cc1cccc(N2CC2)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
CYP19A1 P11511 1/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
TSHR P16473 1/20 0.51
GAA P10253 1/20 0.49
NFE2L2 Q16236 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL13118667 0.88 HTR1A (0.63) MAPTHDAC4HTR1AHTR7ALDH1A1
SCHEMBL12144226 0.83 MAPT (0.59) MAPTSMN1; SMN2MAOBRAB9ANPC1
SCHEMBL28199225 0.82 ADRA2C (0.46) MAPTSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL13778829 0.81 MAPT (0.56) MAPTSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL609803 0.79 TP53 (0.48) MAPTSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL27844805 0.78 DRD2 (0.43) MAPTSMN1; SMN2RAB9ANPC1HDAC3
SCHEMBL23048845 0.77 ADRA2C (0.57) MAPTGAAHDAC3HDAC4HDAC1
SCHEMBL5610645 0.76 PRMT6 (0.45) MAPTSMN1; SMN2GAAHDAC3HDAC4
SCHEMBL1901794 0.75 NFE2L2 (0.68) CYP19A1MAOAMAOBNFE2L2ALDH1A1
SCHEMBL1901796 0.75 NFE2L2 (0.68) CYP19A1MAOAMAOBNFE2L2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104045768-B Conjugated diene polymer, and the polymer composition containing the polymer 住友化学株式会社 2018-02-16 CN disclosed