SCHEMBL27803801

SCHEMBL27803801

Cc1cc(C(=O)Nc2ccc(CCc3ccccc3)cc2)c(N)nc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ FFAR1 O14842 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ ADRB2 P07550 1/20 0.48
▸ ALOX15 P16050 4/20 0.47
▸ HPGD P15428 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ KDR P35968 1/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ PLG P00747 1/20 0.43
▸ KLK1 P06870 1/20 0.43
▸ KLK6 Q92876 1/20 0.43

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
SCHEMBL28790294 0.94 FFAR1 (0.49) OPRL1KDM4ELMNASMN1; SMN2FFAR1
SCHEMBL27824664 0.87 TP53 (0.53) KDM4ESMN1; SMN2ALDH1A1HPGDTP53
SCHEMBL27803920 0.85 NPC1 (0.54) OPRL1LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL27803877 0.85 SPHK1 (0.50) TP53
SCHEMBL27824611 0.83 LMNA (0.56) KDM4ELMNASMN1; SMN2ALDH1A1ALOX15
SCHEMBL27803740 0.82 OPRL1 (0.53) OPRL1KDM4ELMNASMN1; SMN2FFAR1
SCHEMBL27803867 0.81 TP53 (0.47) KDM4ESMN1; SMN2ALDH1A1HPGDTP53
SCHEMBL27803802 0.78 KDM4E (0.51) OPRL1KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL27803780 0.78 GAA (0.56) KDM4ELMNASMN1; SMN2ALDH1A1ALOX15
SCHEMBL27803852 0.77 PNLIP (0.54) LMNASMN1; SMN2ALDH1A1ALOX15HPGD

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
CN-101951771-A Composition for agricultural use for controlling or preventing plant diseases caused by plant pathogens SUMITOMO CHEMICAL CO 2011-01-19 — — CN disclosed
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