SCHEMBL9760537

SCHEMBL9760537

COc1cc([N+](=O)[O-])ccc1NCC(O)CN

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
PKM P14618 1/20 0.55
ALDH1A1 P00352 7/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 4/20 0.51
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.49
MAPT P10636 1/20 0.49
GLA P06280 1/20 0.49
EPHX1 P07099 1/20 0.49
KCNMA1 Q12791 1/20 0.47

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
Hydrochloric Acid SCHEMBL9759821 0.99 HTT (0.54) HTTPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL2331941 0.81 KMT2A (0.47) HTTPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL56823 0.80 HTT (0.58) HTTPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL21280225 0.78 HTT (0.62) HTTPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL29390085 0.78 TSHR (0.73) HTTPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL111537 0.78 TSHR (0.73) HTTPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL9760552 0.78 SMN1; SMN2 (0.51) HTTALDH1A1SMN1; SMN2KMT2ALMNA
Hydrochloric Acid SCHEMBL9759792 0.77 SMN1; SMN2 (0.50) HTTALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL124625 0.76 HTT (0.63) HTTPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL8536244 0.75 HTT (0.66) HTTPKMALDH1A1SMN1; SMN2KMT2A

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-5026401-A Hair dyes L'OREAL (FR) 1991-06-25 US disclosed