SCHEMBL4624306

SCHEMBL4624306

CN1C=CN(c2ccc(C(=O)c3ccccc3)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
HPGD P15428 5/20 0.50
RAB9A P51151 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
STAT1 P42224 1/20 0.50
USP2 O75604 1/20 0.46
SRD5A2 P31213 1/20 0.44
POLB P06746 1/20 0.42
GLA P06280 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ELANE P08246 1/20 0.41

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
Acetic Acid SCHEMBL27858063 0.83 POLB (0.37) ALDH1A1SMN1; SMN2LMNAMAPTUSP2
SCHEMBL4625962 0.81 RAB9A (0.45) ALDH1A1HPGDRAB9AL3MBTL1TSHR
Iodide SCHEMBL6849476 0.80 RAB9A (0.44) ALDH1A1HPGDRAB9AL3MBTL1TSHR
Iodide SCHEMBL3820109 0.79 MAPT (0.36) HPGDRAB9AHSD17B10NPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL384463 0.79 MAPT (0.36) HPGDRAB9AHSD17B10NPC1SMN1; SMN2
Iodide SCHEMBL28360230 0.79 MAPT (0.36) HPGDRAB9AHSD17B10NPC1SMN1; SMN2
Phosphoric Acid SCHEMBL29033349 0.78 CA2 (0.33) ALDH1A1RAB9ANPC1MAPTALOX15
Benzoic Acid SCHEMBL28616500 0.75 TSHR (0.61) ALDH1A1TSHRSMN1; SMN2LMNATP53
SCHEMBL28696283 0.74 MAPT (0.33) MAPTATM
SCHEMBL28841377 0.74 CYP19A1 (0.46) ALDH1A1HPGDRAB9AL3MBTL1TSHR

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-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed
EP-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 EP claimed
EP-1434557-B1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KGAA (DE) 2005-11-09 EP claimed