SCHEMBL7272175

SCHEMBL7272175

CN1[C@@H]2CC[C@H]1C[C@H](N1C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C1=O)C2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 14/20 0.57
KMT2A Q03164 14/20 0.57
NPC1 O15118 7/20 0.57
RAB9A P51151 5/20 0.57
POLB P06746 7/20 0.53
NPSR1 Q6W5P4 5/20 0.53
CCR6 P51684 3/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 2/20 0.53
PABPC1 P11940 2/20 0.53
MAPT P10636 5/20 0.52
S1PR4 O95977 3/20 0.52
S1PR1 P21453 3/20 0.52
HPGD P15428 1/20 0.50
XBP1 P17861 1/20 0.50
AHR P35869 1/20 0.49
HTT P42858 4/20 0.48
GAA P10253 2/20 0.48
TLR9 Q9NR96 3/20 0.47

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
SCHEMBL7281122 1.00 MEN1 (0.57) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL7272177 1.00 MEN1 (0.57) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL7271753 0.95 MEN1 (0.55) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL7271747 0.95 MEN1 (0.55) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL7280531 0.95 MEN1 (0.55) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL7433509 0.86 MEN1 (0.57) MEN1KMT2ANPC1RAB9APOLB
Hydrochloric Acid SCHEMBL9594055 0.85 MEN1 (0.56) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL9585679 0.82 HTR2B (0.56) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL9586600 0.82 HTR2B (0.56) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL9585348 0.82 HTR2B (0.56) MEN1KMT2ANPC1RAB9APOLB

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
US-5202318-A Antiserotonine, antiemetic agents SYNTEX (U.S.A.) INC. (US) 1993-04-13 US disclosed
EP-0457243-A1 Novel tricyclic compounds SYNTEX (U.S.A.) INC. (US) 1991-11-21 EP disclosed