SCHEMBL9353097

SCHEMBL9353097

Cc1cc(NC(=O)COc2c(Cl)cccc2Cl)cc(C)c1S(=O)(=O)C[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
S1PR4 O95977 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL9353090 0.90 KMT2A (0.52) NPC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8463757 0.84 NPC1 (0.55) NPC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7223364 0.79 POLB (0.45) NPC1MEN1KMT2AALDH1A1RAB9A
SCHEMBL7230766 0.78 POLB (0.42) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL7225323 0.76 HDAC3 (0.42) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL8467038 0.76 ALDH1A1 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL8958259 0.76 RAB9A (0.34) S1PR4MEN1KMT2AALDH1A1RAB9A
SCHEMBL7228473 0.75 MAPT (0.40) NPC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7223994 0.75 POLB (0.36) MEN1KMT2AALDH1A1RAB9ALMNA
SCHEMBL7222688 0.75 HDAC3 (0.44) MEN1KMT2AALDH1A1LMNACYP1A2

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
EP-0469888-B1 Amidobenzenes ICI PLC (GB) 1994-09-28 EP claimed
EP-0469888-A1 Amidobenzenes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-05 EP claimed