SCHEMBL8308552

SCHEMBL8308552

O=C1CCC(c2nc3ccc([N+](=O)[O-])cc3s2)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
HTT P42858 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PDK1 Q15118 1/20 0.49
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
DYRK1A Q13627 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 2/20 0.42
RIPK1 Q13546 1/20 0.41
ILK Q13418 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL3851706 0.83 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2RAB9ANPC1CA2
SCHEMBL8304295 0.83 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2RAB9ANPC1CA2
SCHEMBL8304507 0.77 KMT2A (0.49) ALDH1A1SMN1; SMN2HTTCYP3A4TSHR
SCHEMBL7968273 0.74 KMT2A (0.57) ALDH1A1SMN1; SMN2HTTCYP3A4TSHR
SCHEMBL146922 0.70 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2HTTCYP3A4TSHR
SCHEMBL15819998 0.69 HSD17B10 (0.46) ALDH1A1SMN1; SMN2HTTTDP1KMT2A
Water SCHEMBL27718168 0.69 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2HTTCYP3A4TSHR
SCHEMBL15794568 0.69 SMN1; SMN2 (0.69) ALDH1A1SMN1; SMN2HTTCYP3A4TSHR
SCHEMBL1636840 0.69 SMN1; SMN2 (0.69) ALDH1A1SMN1; SMN2HTTCYP3A4TSHR
SCHEMBL10968439 0.68 SMN1; SMN2 (0.63) ALDH1A1SMN1; SMN2HTTCYP3A4TSHR

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-0609441-B1 Oxazolidone derivatives as monoamine oxidase inhibitors EISAI CO LTD (JP) 1999-07-21 EP disclosed
US-5475014-A Monoamine oxidase inhibor; antidepressant EISAI CO., LTD. (JP) 1995-12-12 US disclosed
EP-0609441-A1 OXAZOLIDONE DERIVATIVE Eisai Co., Ltd. (JP) 1994-08-10 EP disclosed