SCHEMBL27801366

SCHEMBL27801366

C=Cc1cc(N)ccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
KMT2A Q03164 3/20 0.42
TLR9 Q9NR96 2/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
NPC1 O15118 5/20 0.39
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
RAB9A P51151 4/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
HPGD P15428 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
GLA P06280 2/20 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
SCHEMBL23878080 0.88 ALDH1A1 (0.40) KMT2AHSD17B10CYP3A4TDP1TAAR1
SCHEMBL346045 0.83 TSHR (0.38) KMT2AHSD17B10CYP3A4TDP1NPC1
SCHEMBL8758644 0.80 MEN1 (0.42) MAOAKMT2AATMHSD17B10NPC1
SCHEMBL27887991 0.80 MEN1 (0.42) MAOAKMT2AATMHSD17B10NPC1
SCHEMBL1697770 0.79 PTPRC (0.45) MAOAKMT2ATLR9ATMHSD17B10
SCHEMBL27874732 0.78 ADORA2A (0.36) KMT2AHSD17B10CYP3A4TDP1TAAR1
SCHEMBL258568 0.78 ALDH1A1 (0.44) TDP1ALDH1A1TP53TSHRPOLB
SCHEMBL28067626 0.78 CYP19A1 (0.53) MAOAKMT2ATLR9ATMHSD17B10
SCHEMBL17643517 0.78 APP (0.38) MAOA
SCHEMBL28266726 0.77 ALDH1A1 (0.38) MAOAKMT2ATLR9ATMHSD17B10

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
CN-101962324-A Method for preparing 3,5-difluoro-4'-vinyl biphenyl-4-amine UNIV ZHEJIANG 2011-02-02 CN claimed
CN-101962324-A Method for preparing 3,5-difluoro-4'-vinyl biphenyl-4-amine UNIV ZHEJIANG 2011-02-02 CN disclosed