SCHEMBL24619702

SCHEMBL24619702

Cc1cc(F)c2nc(O)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 3/20 0.34
CYP2A6 P11509 3/20 0.34
PSMD14 O00487 2/20 0.33
COPS5 Q92905 2/20 0.33
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SELE P16581 1/20 0.33
HSD17B14 Q9BPX1 1/20 0.33
DHODH Q02127 2/20 0.31
TDP1 Q9NUW8 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL1963774 0.82 ALDH1A1 (0.34) KDM4ECYP1A2CYP2A6TDP1ALDH1A1
SCHEMBL24482811 0.80 CCR1 (0.50) CCR1CCR5CCR8KDM4ECYP1A2
SCHEMBL24619705 0.80 CCR1 (0.43) CCR1CCR5CCR8KDM4ECYP1A2
SCHEMBL25251144 0.77 DGAT1 (0.35) KDM4ECYP2A6TDP1ALDH1A1
SCHEMBL9088995 0.77 CCR1 (0.41) CCR1CCR5CCR8KDM4ECYP1A2
SCHEMBL22509683 0.77 BACE1 (0.48) CCR1CCR5CCR8KDM4ECYP1A2
SCHEMBL24619662 0.77 CCR1 (0.41) CCR1CCR5CCR8KDM4ECYP1A2
SCHEMBL20047641 0.74 NOS3 (0.39) CCR1CCR5CCR8CYP1A2CYP2A6
SCHEMBL1964184 0.73 PDE10A (0.30)
SCHEMBL1289578 0.72 LMNA (0.40) KDM4ETDP1ALDH1A1

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-2022149057-A1 CDK INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-07-14 WO disclosed