SCHEMBL11794196

SCHEMBL11794196

O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 5/20 0.47
▸ MAPT P10636 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ AURKA O14965 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ GMNN O75496 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ LYN P07948 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46

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
SCHEMBL11789033 0.84 MAPK1 (0.57) RORCMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL11796428 0.81 SMN1; SMN2 (0.58) RORCMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL11795245 0.80 P2RX1 (0.53) RORCMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL27754113 0.80 KMT2A (0.61) RORCMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL18283381 0.78 MAPT (0.57) RORCMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6659637 0.74 L3MBTL1 (0.57) RORCMAPTNPC1ALDH1A1LMNA
SCHEMBL4175674 0.73 KMT2A (0.40) RORCMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL2963423 0.73 SMN1; SMN2 (0.45) MAPTSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL8042285 0.71 MAPT (0.62) RORCMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7156146 0.70 CRHBP (0.73) KMT2AMEN1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3974204-A PARASITICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 — — US disclosed
US-3966964-A LIVER FLUKES BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 — — US disclosed
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