SCHEMBL11032023

SCHEMBL11032023

O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(Oc2ccc([N+](=O)[O-])c3ccccc23)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.45
MEN1 O00255 7/20 0.43
MAPT P10636 11/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 6/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
ESRRA P11474 2/20 0.39
HTT P42858 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 3/20 0.38
RAB9A P51151 2/20 0.38
CCR6 P51684 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
XBP1 P17861 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
GPR55 Q9Y2T6 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL9132218 0.96 KMT2A (0.44) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL11030688 0.91 MAPT (0.46) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL8659316 0.88 ESRRA (0.50) KMT2AMEN1MAPTPOLBUSP2
SCHEMBL10961870 0.86 RAB9A (0.49) KMT2AMEN1MAPTPOLBUSP2
SCHEMBL11029001 0.85 GCGR (0.53) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL8657600 0.85 MEN1 (0.52) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL8661001 0.84 ESRRA (0.48) KMT2AMEN1MAPTUSP2ALOX15
SCHEMBL11034061 0.84 NPC1 (0.46) KMT2AMEN1MAPTUSP2ALOX15
SCHEMBL11030603 0.83 MEN1 (0.43) KMT2AMEN1MAPTPOLBUSP2
SCHEMBL8658967 0.83 NPC1 (0.47) KMT2AMEN1MAPTPOLBESRRA

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-0124283-A1 Process for the preparation of benzoyl ureas UNION CARBIDE CORPORATION (US) 1984-11-07 EP disclosed
US-4426385-A Insecticidal bicyclooxyphenyl ureas UNION CARBIDE CORPORATION (US) 1984-01-17 US disclosed