SCHEMBL6507347

SCHEMBL6507347

Cc1nc(NC(N)=Nc2cccc(Cc3ccccc3)c2)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.52
KMT2A Q03164 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 4/20 0.52
ALOX12 P18054 3/20 0.52
MAPT P10636 5/20 0.51
HPGD P15428 1/20 0.49
NPC1 O15118 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
STAT3 P40763 1/20 0.48
RECQL P46063 1/20 0.48
HIF1A Q16665 1/20 0.48
SIGMAR1 Q99720 4/20 0.44
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44

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
SCHEMBL6511310 0.85 KMT2A (0.54) LMNAKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL6510588 0.85 LMNA (0.50) LMNAKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL6510506 0.84 MAPK1 (0.56) LMNAKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL6513739 0.81 SMN1; SMN2 (0.42) LMNAKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL6508617 0.80 SIGMAR1 (0.46) KMT2AMAPTCYP1A2SIGMAR1GRIN2D
SCHEMBL6518559 0.79 SMN1; SMN2 (0.55) LMNAKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL6515320 0.75 SIGMAR1 (0.46) LMNAKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL5923353 0.75 SMN1; SMN2 (0.48) LMNAKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL6507406 0.75 RAB9A (0.52) LMNAKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL27341477 0.74 ALDH1A1 (0.60) LMNAKMT2ASMN1; SMN2ALDH1A1MEN1

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