SCHEMBL10993231

SCHEMBL10993231

O=[N+]([O-])c1cnc(Oc2cccc3ccccc23)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.61
HPGD P15428 3/20 0.59
MAPT P10636 6/20 0.52
LMNA P02545 4/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALOX5 P09917 2/20 0.46
PTGES O14684 1/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
PKM P14618 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
SCHEMBL10994648 0.86 MAPT (0.48) PIN1HPGDMAPTLMNAKMT2A
SCHEMBL10994011 0.86 PIN1 (0.56) PIN1HPGDMAPTLMNAHTT
SCHEMBL10992514 0.86 MAPT (0.51) PIN1HPGDMAPTLMNAHTT
SCHEMBL11026917 0.80 ALOX5 (0.54) PIN1HPGDMAPTLMNAHTT
SCHEMBL6237528 0.79 KMT2A (0.65) PIN1HPGDMAPTLMNAHTT
SCHEMBL28475326 0.79 PIN1 (0.55) PIN1MAPTLMNAHTTRECQL
SCHEMBL10675736 0.79 LMNA (0.42) PIN1HPGDMAPTLMNAHTT
SCHEMBL3799780 0.79 ALDH1A1 (0.47) PIN1HPGDMAPTLMNAHTT
SCHEMBL10988253 0.78 HPGD (0.66) PIN1HPGDMAPTLMNAHTT
SCHEMBL10990381 0.77 LMNA (0.46) PIN1HPGDMAPTLMNAHTT

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
US-4521426-A Pesticidal bicyclooxyheterocyclyl aroyl ureas UNION CARBIDE CORPORATION (US) 1985-06-04 US disclosed