SCHEMBL9683945

SCHEMBL9683945

C[Sn](C)(C)c1ccc2c(c1)-c1cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)ccc1C2=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 3/20 0.53
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 2/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 3/20 0.51
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAOB P27338 1/20 0.42

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
SCHEMBL9683933 0.98 MAPT (0.54) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL9684734 0.76 RAB9A (0.51) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL28013888 0.75 HTT (0.62) MAPTSMN1; SMN2RAB9AALDH1A1HTT
SCHEMBL9684489 0.74 PTPRC (0.49) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL11116815 0.72 MEN1 (0.72) MAPTRAB9AALDH1A1LMNAHTT
SCHEMBL9685931 0.71 PTPRC (0.47) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL9385816 0.71 ALDH1A1 (0.66) MAPTSMN1; SMN2RAB9AALDH1A1HTT
SCHEMBL9385826 0.71 ALDH1A1 (0.66) MAPTSMN1; SMN2RAB9AALDH1A1HTT
SCHEMBL8141752 0.70 HTT (0.68) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL6771599 0.70 ALDH1A1 (0.64) MAPTSMN1; SMN2RAB9AALDH1A1HTT

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
US-5144028-A Antibiotics MERCK & CO., INC. (US) 1992-09-01 US disclosed
EP-0469844-A1 2-(9-fluorenonyl)-carbapenem MERCK & CO. INC. (US) 1992-02-05 EP disclosed
US-5025007-A 2-(9-fluorenonyl)-carbapenem antibacterial agents MERCK & CO., INC. (US) 1991-06-18 US disclosed