SCHEMBL11159166

SCHEMBL11159166

Cc1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 3/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 3/20 0.49
ALDH1A1 P00352 3/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
NHERF1 O14745 1/20 0.48
S1PR4 O95977 2/20 0.48
CYP3A4 P08684 1/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
MCL1 Q07820 1/20 0.45
NR1I2 O75469 1/20 0.45
TTR P02766 1/20 0.45

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
SCHEMBL4442336 0.92 LMNA (0.58) PDE7AMEN1KMT2ALMNAPOLB
SCHEMBL4965383 0.89 PDE7A (0.63) PDE7AMEN1KMT2ALMNASMN1; SMN2
SCHEMBL4439447 0.88 TDP1 (0.53) PDE7AMEN1KMT2ALMNAPOLB
SCHEMBL9185260 0.86 ALDH1A1 (0.64) MEN1KMT2ALMNASMN1; SMN2TDP1
SCHEMBL22114316 0.85 HPGD (0.56) PDE7AMEN1KMT2ALMNASMN1; SMN2
SCHEMBL28325585 0.84 PDE7A (0.57) PDE7AMEN1KMT2ALMNAPOLB
SCHEMBL28831074 0.82 PDE7A (0.52) PDE7AMEN1KMT2ALMNASMN1; SMN2
SCHEMBL11511746 0.82 PDE7A (0.71) PDE7AMEN1KMT2ALMNASMN1; SMN2
SCHEMBL22069746 0.82 PDE7A (0.58) PDE7AMEN1KMT2ALMNASMN1; SMN2
SCHEMBL10756271 0.81 S1PR4 (0.56) PDE7ALMNAPOLBSMN1; SMN2TDP1

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-4401461-A PRE- AND POSTEMERGENCE HERBICIDES; RICE ROHM AND HAAS COMPANY (US) 1983-08-30 US disclosed
US-4039588-A ALKOXY, AMINO, HALO-, OR CYANO-SUBSTITUTED ROHM AND HAAS COMPANY (US) 1977-08-02 US disclosed