SCHEMBL10772102

SCHEMBL10772102

CNC(=O)N=C(SC)c1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ ATM Q13315 1/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ LMNA P02545 6/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ TTR P02766 1/20 0.47
▸ PPOX P50336 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ LIPE Q05469 1/20 0.44
▸ FAAH O00519 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ XBP1 P17861 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ FFAR1 O14842 1/20 0.41

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
SCHEMBL10777765 0.91 LMNA (0.47) KMT2AATMSMN1; SMN2LMNAMEN1
SCHEMBL10772766 0.90 SMN1; SMN2 (0.52) KMT2AATMSMN1; SMN2LMNAMEN1
SCHEMBL10775596 0.89 LMNA (0.51) KMT2AATMSMN1; SMN2LMNAMEN1
SCHEMBL10772745 0.88 LIPE (0.48) KMT2AATMSMN1; SMN2LMNAMEN1
SCHEMBL10775897 0.85 RAB9A (0.49) KMT2ALMNAMEN1TDP1TTR
SCHEMBL11455024 0.82 KMT2A (0.61) KMT2AATMSMN1; SMN2LMNAMEN1
SCHEMBL10772903 0.82 SMN1; SMN2 (0.52) KMT2AATMSMN1; SMN2LMNAMEN1
SCHEMBL10772114 0.81 LMNA (0.50) KMT2AATMSMN1; SMN2LMNAMEN1
SCHEMBL10452504 0.81 KMT2A (0.69) KMT2AATMSMN1; SMN2LMNAMEN1
SCHEMBL10775901 0.81 LMNA (0.49) KMT2AATMSMN1; SMN2LMNAMEN1

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-4690708-A Herbicides derived from aryloxybenzenecarboxylic acid imides RHONE-POULENC AGROCHIMIE (FR) 1987-09-01 — — US disclosed
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