SCHEMBL12499778

SCHEMBL12499778

C[C@@H]1CN(Cc2ccc(Br)cc2)C[C@H](C)N1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
HRH3 Q9Y5N1 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
RORC P51449 1/20 0.43
TNIK Q9UKE5 1/20 0.42
MLNR O43193 6/20 0.42
CYP3A4 P08684 2/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
POLB P06746 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
SCHEMBL5059571 0.82 MLNR (0.56) SIGMAR1HRH3HRH4MLNRCYP3A4
SCHEMBL3396312 0.82 LMNA (0.51) SIGMAR1HRH3ALDH1A1HRH4MLNR
SCHEMBL3396309 0.82 LMNA (0.51) SIGMAR1HRH3ALDH1A1HRH4MLNR
SCHEMBL5059568 0.82 MLNR (0.56) SIGMAR1HRH3HRH4MLNRCYP3A4
SCHEMBL3324661 0.81 FUCA1 (0.55) SIGMAR1ALDH1A1MLNRCYP3A4ACHE
SCHEMBL4279682 0.81 FUCA1 (0.55) SIGMAR1ALDH1A1MLNRCYP3A4ACHE
SCHEMBL3522692 0.81 FUCA1 (0.55) SIGMAR1ALDH1A1MLNRCYP3A4ACHE
SCHEMBL3522693 0.81 FUCA1 (0.55) SIGMAR1ALDH1A1MLNRCYP3A4ACHE
SCHEMBL1427573 0.80 HRH3 (0.73) HRH3KDM4EALDH1A1HRH4RORC
SCHEMBL1896032 0.80 HRH3 (0.73) HRH3KDM4EALDH1A1HRH4RORC

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
WO-2012048411-A1 PLK-4 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2012-04-19 WO disclosed
WO-2012048411-A1 PLK-4 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2012-04-19 WO disclosed