SCHEMBL9636712

SCHEMBL9636712

CC(O)Nc1c(C(C)CCO)ccc(N)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
ATM Q13315 1/20 0.34
ADRB2 P07550 1/20 0.32
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
KMT2A Q03164 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
POLB P06746 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
SCHEMBL9636828 0.81 MAPT (0.32) MAPTADRB2ALDH1A1MEN1USP2
SCHEMBL10623128 0.69 MAPT (0.38) MAPTATMALDH1A1SMN1; SMN2MEN1
SCHEMBL15019998 0.68 RAB9A (0.46) MAPTATMCDK5CDK5R1ALDH1A1
SCHEMBL9771695 0.65 ATM (0.31) ATMADRB2
SCHEMBL14118361 0.65 RAB9A (0.43) MAPTATMALDH1A1SMN1; SMN2MEN1
SCHEMBL1815585 0.65 RAB9A (0.49) MAPTATMCDK5CDK5R1ALDH1A1
SCHEMBL5912889 0.65 RAB9A (0.49) MAPTATMCDK5CDK5R1ALDH1A1
SCHEMBL2045312 0.65 HCAR3 (0.38) MAPTALDH1A1SMN1; SMN2
SCHEMBL4234259 0.64 MEN1 (0.40) MAPTALDH1A1MEN1USP2KMT2A
SCHEMBL210588 0.62 RAB9A (0.43) MAPTATMCDK5CDK5R1ALDH1A1

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