SCHEMBL6958783

SCHEMBL6958783

O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(=S)Nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.46
BCHE P06276 1/20 0.45
P2RX4 Q99571 1/20 0.45
BRD4 O60885 1/20 0.45
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
STING1 Q86WV6 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL6964190 0.87 BRD4 (0.60) L3MBTL1LMNAHPGDBCHEP2RX4
SCHEMBL6965999 0.83 LMNA (0.57) LMNAHPGDP2RX4BRD4HTT
SCHEMBL6962591 0.80 HTT (0.71) L3MBTL1LMNAHPGDBRD4HTT
SCHEMBL6968459 0.77 BCHE (0.56) L3MBTL1LMNAHPGDBCHEP2RX4
SCHEMBL7352575 0.76 ALDH1A1 (0.56) L3MBTL1LMNAHPGDBCHEP2RX4
SCHEMBL7332359 0.75 HPGD (0.47) L3MBTL1LMNAHPGDBCHEP2RX4
SCHEMBL8562104 0.75 HPGD (0.58) L3MBTL1LMNAHPGDHTTALDH1A1
SCHEMBL7352388 0.74 ALDH1A1 (0.69) L3MBTL1LMNAHTTALDH1A1MEN1
SCHEMBL8819776 0.74 L3MBTL1 (0.55) L3MBTL1LMNAHPGDHTTALDH1A1
SCHEMBL6959618 0.73 AVPR2 (0.68) L3MBTL1LMNAHTTALDH1A1MEN1

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