SCHEMBL7313747

SCHEMBL7313747

CN(C)/C=C1/CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2cc(Cl)sc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PGR P06401 2/20 0.36
RECQL P46063 1/20 0.36
POLB P06746 1/20 0.35
MGLL Q99685 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL5231836 1.00 STING1 (0.38) STING1MAPTLMNAKDM4EATM
SCHEMBL5235254 0.85 ALDH1A1 (0.40) STING1MAPTLMNAATMALDH1A1
SCHEMBL5234520 0.85 ALDH1A1 (0.40) STING1MAPTLMNAATMALDH1A1
SCHEMBL7330866 0.81 ALDH1A1 (0.46) STING1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL7330871 0.81 ALDH1A1 (0.46) STING1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL5237725 0.79 MEN1 (0.47) MAPTLMNAALDH1A1L3MBTL1PGR
SCHEMBL5238517 0.78 ALDH1A1 (0.39) STING1MAPTLMNAALDH1A1CA12
SCHEMBL5238511 0.78 ALDH1A1 (0.39) STING1MAPTLMNAALDH1A1CA12
SCHEMBL5233480 0.76 KMT2A (0.39) MAPTLMNAKDM4EALDH1A1CA2
SCHEMBL5233477 0.76 KMT2A (0.39) MAPTLMNAKDM4EALDH1A1CA2

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
WO-1996022295-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
US-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 US disclosed