SCHEMBL20177675

SCHEMBL20177675

Fc1cc(Br)ccc1[C@@H]1CNC(=S)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.45
KDM1B Q8NB78 1/20 0.45
QPCT Q16769 1/20 0.33
DPP4 P27487 4/20 0.32
LMNA P02545 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
DGAT1 O75907 1/20 0.30

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
SCHEMBL20177600 0.81 MTNR1A (0.48) KDM1AKDM1BLMNAMEN1KMT2A
SCHEMBL20177918 0.81 HTR2C (0.40) ALOX12
SCHEMBL20177607 0.79 KDM1A (0.31) KDM1A
SCHEMBL20177917 0.79 KDM1A (0.31) KDM1A
SCHEMBL29739167 0.74 KDM1A (0.58) KDM1AKDM1BDPP4DGAT1
SCHEMBL8243578 0.74 KDM1A (0.58) KDM1AKDM1BDPP4DGAT1
SCHEMBL20177679 0.73 KDM1A (0.44) KDM1AKDM1B
SCHEMBL22778088 0.71 KDM1A (0.56) KDM1AKDM1BDPP4LMNAMEN1
SCHEMBL30021045 0.71 KDM1A (0.56) KDM1AKDM1BDPP4LMNAMEN1
SCHEMBL17997271 0.71 KDM1A (0.55) KDM1AKDM1BMEN1KMT2ADGAT1

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
WO-2018092916-A1 NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE 宇部興産株式会社 2018-05-24 WO disclosed