SCHEMBL8314747

SCHEMBL8314747

NOCCCCc1nc2cc(O)c(O)cc2nc1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
DHFR P00374 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8316942 0.96 IDO1 (0.33) MEN1NPC1RAB9AKMT2ADHFR
SCHEMBL9135874 0.91 ALDH1A1 (0.34) MEN1NPC1RAB9AKMT2AALDH1A1
Hydrochloric Acid SCHEMBL8314011 0.90 ALDH1A1 (0.33) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL8311752 0.81 ALDH1A1 (0.35) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL9319282 0.71 MAPT (0.56) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL9319003 0.67 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL9871154 0.66 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL9319709 0.63 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL8658426 0.61 MAPT (0.39) MEN1RAB9AKMT2AALDH1A1MAPT
SCHEMBL31486444 0.61 MAOB (0.52) MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0484881-B1 Heteroaroyl derivatives of monocyclic beta-lactam antibiotics SQUIBB & SONS INC (US) 1999-04-07 EP claimed
US-5420277-A BACTERICIDE INTERMEDIATES E. R. SQUIBB & SONS, INC. (US) 1995-05-30 US claimed
EP-0484881-A2 Heteroaroyl derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1992-05-13 EP claimed
EP-0484881-B1 Heteroaroyl derivatives of monocyclic beta-lactam antibiotics SQUIBB & SONS INC (US) 1999-04-07 EP disclosed
US-5705645-A Hereroaryl derivatives of monocyclic beta-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1998-01-06 US disclosed
US-5420277-A BACTERICIDE INTERMEDIATES E. R. SQUIBB & SONS, INC. (US) 1995-05-30 US disclosed
US-5290929-A Heteroaryl derivatives of monocyclic beta-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1994-03-01 US disclosed
EP-0484881-A2 Heteroaroyl derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1992-05-13 EP disclosed