SCHEMBL3832091

SCHEMBL3832091

Cc1cccc(-c2cnn(C3CCCCO3)c2N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
GFER P55789 1/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
KDR P35968 3/20 0.40
GRM5 P41594 3/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
LRRK2 Q5S007 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL3502584 0.77 RIPK2 (0.39) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL23092233 0.73 POLB (0.42) KMT2ARAB9AMEN1ALDH1A1LMNA
SCHEMBL3501362 0.71 ABL1 (0.40) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL17034421 0.70 RXRA (0.50) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL770688 0.70 RXRA (0.58) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL30045758 0.70 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL15889590 0.69 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL30797855 0.69 ALDH1A1 (0.41) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL27377667 0.69 ALDH1A1 (0.41) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL13026225 0.68 RXRA (0.46) KMT2ANPC1RAB9AMEN1MAPT

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-2102165-A2 N-(METHYL)-1H-PYRAZOL-3-AMINE, N-(METHYL)-PYRIDIN-2-AMINE AND N-(METHYL)-THIAZOL-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S AC Immune S.A. (CH) 2009-09-23 EP disclosed
WO-2008061795-A2 N- (METHYL) -1H- PYRAZOL- 3 -AMINE, N- (METHYL) -PYRIDIN-2-AMINE AND N- (METHYL) -THIAZ0L-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S AC IMMUNE SA (CH) 2008-05-29 WO disclosed