SCHEMBL6508152

SCHEMBL6508152

Cc1cc(C)nc(N=C(N)Nc2cccc3ccc(C)nc23)n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.60
KMT2A Q03164 3/20 0.58
CYP1A2 P05177 2/20 0.58
POLB P06746 2/20 0.58
CYP2D6 P10635 2/20 0.58
MEN1 O00255 2/20 0.58
CRHBP P24387 4/20 0.56
CRHR2 Q13324 4/20 0.56
NR4A1 P22736 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 3/20 0.53
AHR P35869 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RAD52 P43351 1/20 0.53
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 2/20 0.49
GAA P10253 1/20 0.47

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
SCHEMBL6511898 0.86 RAB9A (0.58) RAB9AKMT2ACYP1A2POLBCYP2D6
SCHEMBL14862605 0.78 RAB9A (0.69) RAB9AKMT2ACYP1A2POLBCYP2D6
SCHEMBL6509819 0.75 RAB9A (1.00) RAB9AKMT2ACYP1A2POLBCYP2D6
SCHEMBL5923461 0.74 MAPT (0.53) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL10498926 0.73 CRHBP (0.83) RAB9AKMT2ACYP1A2POLBCYP2D6
SCHEMBL28439562 0.72 MAPT (0.65) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL4112253 0.72 RAB9A (0.54) RAB9AKMT2ACYP1A2POLBCYP2D6
SCHEMBL18257208 0.71 MAPT (0.64) RAB9AKMT2APOLBMEN1SMN1; SMN2
SCHEMBL4711326 0.71 MAPT (0.63) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL4110628 0.70 RAB9A (0.58) RAB9AKMT2ACYP1A2POLBCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005095345-A2 HETEROARYL GUANIDINES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-10-13 WO claimed