SCHEMBL27809136

SCHEMBL27809136

Oc1ccccc1-c1ccnc2c(Cl)cccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.51
▸ MAPK14 Q16539 1/20 0.47
▸ KDM4E B2RXH2 9/20 0.44
▸ PDE4D Q08499 2/20 0.44
▸ MAPT P10636 5/20 0.44
▸ LMNA P02545 4/20 0.44
▸ HSP90AA1 P07900 3/20 0.44
▸ METAP2 P50579 2/20 0.44
▸ METAP1 P53582 2/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ ALOX12 P18054 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ TP53 P04637 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ ALOX15 P16050 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MMP14 P50281 3/20 0.42
▸ HTT P42858 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42

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
SCHEMBL1025455 0.79 NR4A2 (0.61) NR4A2MAPK14KDM4EPDE4DMAPT
SCHEMBL29291170 0.79 CYP1A2 (0.56) NR4A2MAPTLMNASMN1; SMN2ALOX12
SCHEMBL4011946 0.78 NR4A2 (0.49) NR4A2MAPK14KDM4EPDE4DMAPT
SCHEMBL28021043 0.78 NR4A2 (0.56) NR4A2MAPK14KDM4ESMN1; SMN2ALDH1A1
SCHEMBL27809134 0.77 NR4A2 (0.51) NR4A2KDM4EPDE4DMAPTLMNA
SCHEMBL4040116 0.75 KDM4E (0.64) KDM4EPDE4DMAPTLMNAHSP90AA1
SCHEMBL4016535 0.75 PIK3CD (0.61) NR4A2KDM4EPDE4DMAPTLMNA
SCHEMBL27640890 0.74 CCR1 (0.54) KDM4EPDE4DMAPTLMNAHSP90AA1
SCHEMBL27278123 0.74 NPC1 (0.57) MAPK14KDM4EMAPTLMNASMN1; SMN2
SCHEMBL318769 0.73 NR4A2 (0.68) NR4A2MAPK14KDM4EMAPTLMNA

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-101801925-A antiviral compounds GILEAD SCIENCES INC 2010-08-11 — — CN disclosed
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