SCHEMBL9636828

SCHEMBL9636828

CC(O)c1c(C(C)CCO)ccc(N)c1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
ADRB2 P07550 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL9636712 0.81 MAPT (0.35) MAPTMEN1USP2KMT2AKEAP1
SCHEMBL4234259 0.79 MEN1 (0.40) MAPTMEN1USP2KMT2AKEAP1
SCHEMBL688608 0.75 TSHR (0.46) MAPTMEN1USP2KMT2AKEAP1
SCHEMBL15018382 0.68 MAPT (0.36) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL27719080 0.67 GAA (0.47) MAPTMEN1USP2KMT2AKEAP1
SCHEMBL13276270 0.66 LMNA (0.36) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL17919413 0.65 GAA (0.48) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL7001026 0.64 CYP3A4 (0.56) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL1678371 0.64 GPR35 (0.39) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL27832802 0.64 MEN1 (0.53) MAPTMEN1USP2KMT2AKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0489775-A1 HAIR-DYEING PROCESS USING DIRECT DYES Henkel Kommanditgesellschaft auf Aktien (DE) 1992-06-17 EP disclosed
WO-1991003231-A1 HAIR-DYEING PROCESS USING DIRECT DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1991-03-21 WO disclosed