SCHEMBL28040154

SCHEMBL28040154

Fc1ccc2c(c1)Cc1cc(Br)ccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.47
TDP2 O95551 1/20 0.46
PGR P06401 3/20 0.42
AKR1A1 P14550 1/20 0.41
AKR1B1 P15121 1/20 0.41
CYP17A1 P05093 1/20 0.41
SRD5A1 P18405 1/20 0.41
SRD5A2 P31213 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CHEK2 O96017 1/20 0.40
ROS1 P08922 1/20 0.40
MARK3 P27448 1/20 0.40
LTK P29376 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
AURKB Q96GD4 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
SCHEMBL29376113 0.87 METAP1 (0.57) METAP1TDP2PGRSRD5A1SRD5A2
SCHEMBL28126153 0.87 METAP1 (0.57) METAP1TDP2PGRSRD5A1SRD5A2
SCHEMBL577480 0.87 PGR (0.49) TDP2PGRCYP17A1SRD5A1CA1
SCHEMBL40823 0.87 METAP1 (0.57) METAP1TDP2PGRSRD5A1SRD5A2
Ammonia Solution, Strong SCHEMBL28144371 0.84 METAP1 (0.55) METAP1TDP2PGRSRD5A1SRD5A2
SCHEMBL27619851 0.84 METAP1 (0.55) METAP1TDP2PGRSRD5A1SRD5A2
SCHEMBL4826135 0.82 METAP1 (0.53) METAP1TDP2PGRSRD5A1SRD5A2
SCHEMBL29569917 0.80 METAP1 (0.52) METAP1TDP2PGRSRD5A1SRD5A2
SCHEMBL9811056 0.80 PGR (0.49) TDP2PGRCYP17A1SRD5A2CA1
SCHEMBL3129344 0.80 METAP1 (0.52) METAP1TDP2PGRSRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105037167-B A kind of synthetic method of N, N diaryl 2 bromine 6 naphthylamines and its application 华南理工大学 2017-03-01 CN claimed
CN-105037167-A Synthetic method of N, N-diaryl-2-bromine-6-naphthylamine and application thereof UNIV SOUTH CHINA TECH 2015-11-11 CN claimed
CN-105037167-B A kind of synthetic method of N, N diaryl 2 bromine 6 naphthylamines and its application 华南理工大学 2017-03-01 CN disclosed
CN-105037167-A Synthetic method of N, N-diaryl-2-bromine-6-naphthylamine and application thereof UNIV SOUTH CHINA TECH 2015-11-11 CN disclosed