SCHEMBL9760189

SCHEMBL9760189

COc1cc([N+](=O)[O-])ccc1NCCN(CCO)CCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
PKM P14618 1/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 9/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 4/20 0.50
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
GLA P06280 1/20 0.48
EPHX1 P07099 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 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 SCHEMBL9760625 0.99 TSHR (0.56) TSHRTDP1PKMHTTALDH1A1
SCHEMBL9760920 0.88 LMNA (0.55) TSHRTDP1PKMHTTALDH1A1
SCHEMBL111537 0.87 TSHR (0.73) TSHRTDP1PKMHTTALDH1A1
SCHEMBL29390085 0.87 TSHR (0.73) TSHRTDP1PKMHTTALDH1A1
Hydrochloric Acid SCHEMBL9760063 0.86 LMNA (0.54) TSHRTDP1PKMHTTALDH1A1
SCHEMBL3858396 0.84 MAPT (0.55) TSHRTDP1HTTALDH1A1SMN1; SMN2
SCHEMBL9760510 0.82 HTT (0.53) TSHRTDP1PKMHTTALDH1A1
SCHEMBL6574005 0.82 HTT (0.58) TSHRTDP1PKMHTTALDH1A1
Hydrochloric Acid SCHEMBL9760021 0.81 HTT (0.52) TSHRTDP1PKMHTTALDH1A1
SCHEMBL56823 0.79 HTT (0.58) TSHRTDP1PKMHTTALDH1A1

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