SCHEMBL22609397

SCHEMBL22609397

CCOc1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.54
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 7/20 0.50
POLB P06746 1/20 0.50
ALOX12 P18054 1/20 0.47
MAPT P10636 8/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL10542203 0.87 MAPT (0.57) LMNAGAASMN1; SMN2ALDH1A1POLB
SCHEMBL182652 0.84 MAPT (0.52) LMNASMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL9699096 0.83 THRA (0.60) LMNAGAASMN1; SMN2ALDH1A1POLB
SCHEMBL9697325 0.83 THRA (0.60) LMNAGAASMN1; SMN2ALDH1A1POLB
SCHEMBL2611830 0.81 ALDH1A1 (0.61) LMNAGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL1984504 0.81 ALDH1A1 (0.56) LMNAGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL3994737 0.81 MAPT (0.64) LMNAGAASMN1; SMN2ALDH1A1POLB
SCHEMBL30753688 0.81 MAPT (0.64) LMNAGAASMN1; SMN2ALDH1A1POLB
SCHEMBL375443 0.81 ALDH1A1 (0.56) LMNAGAASMN1; SMN2ALDH1A1POLB
SCHEMBL2234880 0.81 ALDH1A1 (0.56) LMNAGAASMN1; SMN2ALDH1A1POLB

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
EP-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 EP disclosed