SCHEMBL5812516

SCHEMBL5812516

CC(C)c1nc(N)nc(Cl)c1Cc1cc(F)cc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 6/20 0.42
▸ CCR5 P51681 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ADCY10 Q96PN6 3/20 0.34
▸ REN P00797 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.32

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
SCHEMBL9287273 0.72 GCGR (0.38) CCR2CCR5KDM4EHPGDSMN1; SMN2
SCHEMBL12496103 0.68 SMN1; SMN2 (0.59) CCR2KDM4EHPGDSMN1; SMN2NPSR1
SCHEMBL5750016 0.66 NTRK1 (0.33) —
SCHEMBL11443982 0.65 ADORA2A (0.37) —
SCHEMBL5469424 0.64 ALDH1A1 (0.47) KDM4ESMN1; SMN2
SCHEMBL5751766 0.64 PTGDR2 (0.41) —
SCHEMBL5750990 0.63 P2RX7 (0.36) CCR2CCR5
SCHEMBL16775303 0.63 ADORA2A (0.32) —
SCHEMBL12496384 0.63 HSP90AA1 (0.54) KDM4EHPGDSMN1; SMN2NPSR1HSP90AB1
SCHEMBL5812511 0.62 LMNA (0.36) KDM4EHPGDSMN1; SMN2NPSR1

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-2006136327-A1 FUNGICIDAL BENZYLPYRIMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2006-12-28 — — WO disclosed
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