SCHEMBL9353090

SCHEMBL9353090

Cc1cccc(C)c1OCC(=O)Nc1cc(C)c(S(=O)(=O)C[N+](=O)[O-])c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
NOTUM Q6P988 1/20 0.49
KDM4E B2RXH2 3/20 0.48
THRB P10828 1/20 0.48
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
USP2 O75604 1/20 0.47
PLA2G1B P04054 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
HIF1A Q16665 1/20 0.46
ALPL P05186 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP1A2 P05177 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
SCHEMBL9353097 0.90 NPC1 (0.44) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL8463757 0.87 NPC1 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL7223364 0.82 POLB (0.45) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL7230766 0.81 POLB (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL1201738 0.80 AKR1B1 (0.60) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL7225323 0.78 HDAC3 (0.42) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8467038 0.78 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL7223994 0.78 POLB (0.36) KMT2AMEN1ALDH1A1RAB9AKDM4E
SCHEMBL7228473 0.78 MAPT (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL7222688 0.77 HDAC3 (0.44) KMT2AMEN1ALDH1A1LMNACYP1A2

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