SCHEMBL23958731

SCHEMBL23958731

Cc1ccc(-c2nc(Cl)c(F)c(C(C)(C)O)c2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC34A1 Q06495 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
RPS6KA3 P51812 1/20 0.32
CNR1 P21554 1/20 0.32
ACHE P22303 1/20 0.31
HSP90AB1 P08238 1/20 0.31
POLB P06746 2/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL30007400 0.90 SLC34A1 (0.37) SLC34A1CNR1ADORA2ADHODHCDK8
SCHEMBL23930104 0.90 SLC34A1 (0.37) SLC34A1CNR1ADORA2ADHODHCDK8
SCHEMBL30007279 0.79 SLC34A1 (0.35) ALDH1A1KMT2AMEN1SLC34A1CNR1
SCHEMBL23958637 0.79 SLC34A1 (0.35) ALDH1A1KMT2AMEN1SLC34A1CNR1
SCHEMBL23958967 0.77 CDK8 (0.41) L3MBTL1ALDH1A1KDM4ETDP1KMT2A
SCHEMBL30007134 0.73 SLC34A1 (0.36) ALDH1A1SLC34A1ADORA2ADHODH
SCHEMBL25686851 0.73 SLC34A1 (0.36) ALDH1A1SLC34A1ADORA2ADHODH
SCHEMBL23958949 0.71 CFTR (0.35) SLC34A1ADORA2A
SCHEMBL23958742 0.68 CFTR (0.34) SLC34A1ADORA2A
SCHEMBL23958695 0.68 CFTR (0.34) SLC34A1ADORA2A

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-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed