SCHEMBL6972432

SCHEMBL6972432

CCOC(=O)CO/N=C1/CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 4/20 0.42
POLB P06746 3/20 0.42
MAPT P10636 3/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPK1 P28482 1/20 0.38
AVPR2 P30518 1/20 0.38
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL6972436 1.00 L3MBTL1 (0.42) L3MBTL1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7080842 0.87 AVPR2 (0.47) ALDH1A1POLBMAPTLMNAHTT
SCHEMBL7080843 0.87 AVPR2 (0.47) ALDH1A1POLBMAPTLMNAHTT
SCHEMBL6961951 0.80 MAPT (0.48) L3MBTL1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL6961949 0.80 MAPT (0.48) L3MBTL1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8961678 0.78 AVPR2 (0.64) AVPR2
SCHEMBL8961679 0.78 AVPR2 (0.64) AVPR2
SCHEMBL6965363 0.78 KMT2A (0.45) L3MBTL1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL6965367 0.78 KMT2A (0.45) L3MBTL1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL6965409 0.76 SMN1; SMN2 (0.47) L3MBTL1KMT2ASMN1; SMN2MEN1ALDH1A1

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