SCHEMBL21189713

SCHEMBL21189713

CC1(C)OB(c2ccc(Cl)c(C(=O)N3CCCC3)c2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 4/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HSP90AA1 P07900 2/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ROCK1 Q13464 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL2798855 0.86 HPGD (0.46) TSHRHPGDUSP2POLBKMT2A
SCHEMBL21189725 0.86 KMT2A (0.50) TSHRLMNATP53HPGDPOLB
SCHEMBL12795963 0.84 TSHR (0.49) TSHRLMNAHPGDUSP2POLB
SCHEMBL21177358 0.83 RORC (0.40) TSHRLMNATP53ALOX15KDM4E
SCHEMBL21177360 0.83 RORC (0.40) TSHRLMNATP53ALOX15KDM4E
SCHEMBL24340135 0.83 HSP90AA1 (0.43) TSHRLMNAKDM4EHPGDUSP2
SCHEMBL21189459 0.82 KMT2A (0.53) TSHRLMNAHPGDPOLBKMT2A
SCHEMBL2800290 0.80 MAPT (0.51) TSHRLMNAKDM4EHPGDSMN1; SMN2
SCHEMBL1721722 0.79 ALDH1A1 (0.47) LMNATP53KDM4EPOLBKMT2A
SCHEMBL24745868 0.79 HPGD (0.56) TSHRLMNAHPGDPOLBSMN1; SMN2

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-2019141694-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-25 WO disclosed