SCHEMBL8884577

SCHEMBL8884577

CCOc1ccc(N)c(NCCN(C(C)C)C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
ALDH1A1 P00352 6/20 0.37
HSD17B10 Q99714 4/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 2/20 0.36
CYP3A4 P08684 2/20 0.36
NQO1 P15559 1/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL1284030 0.82 LTA4H (0.41) HSP90AA1HSP90AB1LMNATSHRSMN1; SMN2
SCHEMBL8885076 0.79 MAPT (0.50) HSP90AA1HSP90AB1MEN1KMT2ANPC1
SCHEMBL15063670 0.79 MEN1 (0.49) MEN1KMT2ANPC1APOBEC3GALDH1A1
SCHEMBL27519506 0.76 MEN1 (0.46) MEN1KMT2ANPC1APOBEC3GALDH1A1
SCHEMBL10725639 0.73 HSP90AA1 (0.42) HSP90AA1HSP90AB1MEN1KMT2AALDH1A1
SCHEMBL4980460 0.70 KDM4E (0.52) HSP90AA1HSP90AB1KMT2AKDM4EMAPT
SCHEMBL4980706 0.69 KDM4E (0.51) KMT2AKDM4EMAPTTSHR
SCHEMBL8883131 0.69 POLB (0.47) MEN1KMT2ANPC1APOBEC3GALDH1A1
SCHEMBL1283645 0.68 KDM4E (0.50) HSP90AA1HSP90AB1KDM4ETSHR
SCHEMBL7987956 0.67 KMT2A (0.49) MEN1KMT2ANPC1APOBEC3GALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5661169-A HAVE AFFINITY FOR VASOPRESSIN AND/OR OXYTOCIN RECEPTORS SANOFI (FR) 1997-08-26 US disclosed
US-5585394-A INHIBITOR, ANTAGONIST OF VASOPRESSIN OR OXYTOCIN SANOFI (FR) 1996-12-17 US disclosed
EP-0694536-A1 1-Benzyl-1,3-dihydro-2H-benzimidazol-2-one derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-01-31 EP disclosed
EP-0636614-A1 Derivatives of 1-benzenesulfonyl-1,3-dihydro-2H-benzimidazol-2-one, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-02-01 EP disclosed