SCHEMBL6965367

SCHEMBL6965367

CCOC(=O)C=C1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 5/20 0.44
POLB P06746 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
USP2 O75604 2/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 3/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
TP53 P04637 1/20 0.41
KCNJ1 P48048 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
SCHEMBL6965363 1.00 KMT2A (0.45) KMT2ASMN1; SMN2MEN1ALDH1A1POLB
SCHEMBL6972432 0.78 L3MBTL1 (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1POLB
SCHEMBL6972436 0.78 L3MBTL1 (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1POLB
SCHEMBL6990464 0.78 ALDH1A1 (0.52) KMT2ASMN1; SMN2MEN1ALDH1A1POLB
SCHEMBL7352245 0.76 MEN1 (0.50) KMT2ASMN1; SMN2MEN1ALDH1A1POLB
SCHEMBL7345718 0.75 ALDH1A1 (0.49) KMT2ASMN1; SMN2MEN1ALDH1A1POLB
SCHEMBL6965409 0.75 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2MEN1ALDH1A1POLB
SCHEMBL6961949 0.74 MAPT (0.48) KMT2ASMN1; SMN2MEN1ALDH1A1POLB
SCHEMBL6961951 0.74 MAPT (0.48) KMT2ASMN1; SMN2MEN1ALDH1A1POLB
SCHEMBL6962781 0.74 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2MEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed