SCHEMBL20188092

SCHEMBL20188092

CCCOc1cc(C(C)N)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
CSNK2A1 P68400 2/20 0.36
ADRB2 P07550 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TNF P01375 1/20 0.36
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL18374263 1.00 MAPT (0.39) MAPTKDM4EMEN1USP2ALDH1A1
Hydrochloric Acid SCHEMBL20338506 0.98 KDM4E (0.41) MAPTKDM4EMEN1USP2ALDH1A1
Hydrochloric Acid SCHEMBL20338505 0.98 KDM4E (0.41) MAPTKDM4EMEN1USP2ALDH1A1
SCHEMBL13877371 0.87 MAPT (0.42) MAPTKDM4EMEN1USP2ALDH1A1
SCHEMBL28408399 0.87 HTT (0.44) MAPTKDM4EMEN1ALDH1A1POLB
SCHEMBL31447482 0.87 HTT (0.44) MAPTKDM4EMEN1ALDH1A1POLB
SCHEMBL765878 0.87 HTT (0.42) MAPTKDM4EMEN1USP2ALDH1A1
Hydrochloric Acid SCHEMBL4230691 0.86 MAPT (0.45) MAPTKDM4EMEN1USP2ALDH1A1
Hydrochloric Acid SCHEMBL27777909 0.86 MAPT (0.45) MAPTKDM4EMEN1USP2ALDH1A1
SCHEMBL20201941 0.82 ALDH1A1 (0.44) ALDH1A1GAAADRB2TLR8

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-2018128720-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-07-12 WO disclosed
WO-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed