SCHEMBL4625962

SCHEMBL4625962

CC(=O)c1ccc(N2C=CN(C)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
CYP3A4 P08684 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
KMT2A Q03164 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KCNJ1 P48048 1/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 2/20 0.41
ADAM17 P78536 1/20 0.40
TSHR P16473 1/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HSD17B1 P14061 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.37

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
Iodide SCHEMBL6849476 0.98 RAB9A (0.44) RAB9ANPC1CYP3A4BAZ2BKMT2A
Acetic Acid SCHEMBL27858063 0.80 POLB (0.37) KMT2AMAPTALDH1A1LMNAMEN1
SCHEMBL27196390 0.75 MAPT (0.42) RAB9AL3MBTL1MAPTALDH1A1TSHR
SCHEMBL27885708 0.73 GSK3A (0.34) RAB9ANPC1ALDH1A1TSHRHPGD
SCHEMBL28103648 0.73 MAPT (0.44) RAB9ANPC1KMT2AL3MBTL1MAPT
SCHEMBL29229547 0.72 SMN1; SMN2 (0.49) RAB9ANPC1KMT2AMAPTALDH1A1
Phosphoric Acid SCHEMBL29033349 0.71 CA2 (0.33) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL28023988 0.71 TSHR (0.52) KMT2AL3MBTL1MAPTALDH1A1TSHR
Iodide SCHEMBL28360230 0.71 MAPT (0.36) RAB9ANPC1CYP3A4KMT2AMAPT
Hydrochloric Acid SCHEMBL384463 0.71 MAPT (0.36) RAB9ANPC1CYP3A4KMT2AMAPT

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 4 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
EP-1139990-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2004-05-06 EP claimed