SCHEMBL8330111

SCHEMBL8330111

O=C(OCCc1ccc([N+](=O)[O-])cc1)OOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
PPIA P62937 1/20 0.45
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 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
SCHEMBL291412 0.82 TSHR (0.59) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL1119050 0.80 HTR2A (0.53) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL7440434 0.80 HTR2A (0.53) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL6645015 0.79 RAB9A (0.61) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL7931694 0.78 IDO1 (0.53) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL291413 0.77 TSHR (0.58) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL2825738 0.77 ESR1 (0.66) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL8816044 0.77 ALOX5 (0.59) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL1276349 0.76 TSHR (0.53) KMT2AALDH1A1MAPTRAB9ATSHR
SCHEMBL8716892 0.76 RAB9A (0.61) MEN1KMT2AALDH1A1MAPTRAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866700-A Solid-phase synthesis of oligoribonucleotides HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-02 US disclosed