SCHEMBL9180877

SCHEMBL9180877

Oc1cc(O)c2c(c1)NCC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
NOTUM Q6P988 1/20 0.35
PARP1 P09874 1/20 0.35
ACHE P22303 1/20 0.35
ADCY6 O43306 1/20 0.32
ADCY3 O60266 1/20 0.32
ADCY9 O60503 1/20 0.32
ADCY5 O95622 1/20 0.32
ADCY8 P40145 1/20 0.32
ADCY7 P51828 1/20 0.32
ADCY2 Q08462 1/20 0.32
ADCY1 Q08828 1/20 0.32
ADCY4 Q8NFM4 1/20 0.32
DYRK1A Q13627 1/20 0.31
NQO1 P15559 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
SCHEMBL14509052 0.79 ACHE (0.39) DRD2DRD4NOTUMPARP1ACHE
SCHEMBL31443670 0.79 DRD2 (0.37) DRD2DRD4NOTUMPARP1ACHE
SCHEMBL14234585 0.79 DRD2 (0.37) DRD2DRD4NOTUMPARP1ACHE
SCHEMBL1880026 0.75 CYP3A4 (0.44) DRD2DRD4
SCHEMBL10972351 0.74 DRD2 (0.40) DRD2DRD4PARP1ACHENQO1
SCHEMBL93672 0.70 PARP1 (0.56) DRD2DRD4NOTUMPARP1ACHE
SCHEMBL30537817 0.70 PARP1 (0.56) DRD2DRD4NOTUMPARP1ACHE
SCHEMBL22312385 0.68 UHRF1 (0.40) ACHE
SCHEMBL5357007 0.68 HTT (0.41) DRD2DRD4NOTUMPARP1ACHE
Hydrochloric Acid SCHEMBL15322401 0.68 PARP1 (0.55) DRD2DRD4NOTUMPARP1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613365-B1 HAIR-TINTING AGENTS HENKEL KGAA (DE) 1995-08-02 EP disclosed
EP-0613365-A1 HAIR-TINTING AGENTS. HENKEL KGAA (DE) 1994-09-07 EP disclosed
WO-1993009758-A1 HAIR-TINTING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1993-05-27 WO disclosed