SCHEMBL8170195

SCHEMBL8170195

Cc1ccccc1-n1cc(C)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.48
ATP4B P51164 2/20 0.48
HTR7 P34969 6/20 0.47
ALKBH5 Q6P6C2 1/20 0.44
FTO Q9C0B1 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NQO2 P16083 1/20 0.43
GPR3 P46089 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A2 P23975 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
ENPP1 P22413 1/20 0.39
MGLL Q99685 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
SCHEMBL31116748 0.83 RORC (0.42) HTR7ALKBH5FTOKDM4ENQO2
SCHEMBL28894027 0.83 KDM4E (0.40) ATP4AATP4BHTR7ALKBH5FTO
SCHEMBL28819189 0.83 HTR7 (0.46) ATP4AATP4BHTR7ALKBH5FTO
SCHEMBL13788696 0.83 KDM4E (0.44) ATP4AATP4BHTR7ALKBH5FTO
SCHEMBL18976935 0.80 ATP4A (0.50) ATP4AATP4BHTR7ALKBH5FTO
SCHEMBL28517675 0.80 HTR7 (0.57) ATP4AATP4BHTR7ALKBH5FTO
SCHEMBL6354648 0.80 HTR7 (0.42) ATP4AATP4BHTR7ALKBH5FTO
SCHEMBL13335122 0.80 HTR7 (0.42) ATP4AATP4BHTR7ALKBH5FTO
SCHEMBL14259404 0.79 SLC6A2 (0.48) ATP4AATP4BKDM4ENQO2SLC6A2
SCHEMBL20110558 0.79 KDM4E (0.40) ATP4AATP4BHTR7ALKBH5FTO

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
US-6100398-A Transition metal-catalyzed process for preparing N-aryl amine compounds YALE UNIVERSITY (US) 2000-08-08 US disclosed