SCHEMBL10770076

SCHEMBL10770076

CCC(=O)Nc1cccc(-c2ccc3nnc(NC)n3n2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
RECQL P46063 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
FYN P06241 2/20 0.50
MAPT P10636 2/20 0.49
PIK3C2B O00750 1/20 0.49
EGFR P00533 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL10768749 0.90 MEN1 (0.55) MEN1POLBRECQLKMT2ASMN1; SMN2
SCHEMBL10771496 0.88 FYN (0.65) SMN1; SMN2KDM4EFYN
SCHEMBL3476495 0.87 MEN1 (0.71) MEN1POLBRECQLKMT2ASMN1; SMN2
SCHEMBL4314117 0.83 MEN1 (0.56) MEN1POLBRECQLKMT2ASMN1; SMN2
SCHEMBL10769715 0.80 FYN (0.61) FYN
SCHEMBL23535616 0.79 FYN (0.62) NPC1RAB9AFYN
SCHEMBL10390960 0.79 BRD4 (0.58) MEN1POLBRECQLKMT2ASMN1; SMN2
SCHEMBL10389605 0.78 MEN1 (0.69) MEN1POLBRECQLKMT2ASMN1; SMN2
SCHEMBL10389951 0.78 BRD4 (0.49) MEN1POLBRECQLKMT2ASMN1; SMN2
SCHEMBL10389914 0.78 SMN1; SMN2 (0.71) POLBRECQLKMT2ASMN1; SMN2NPC1

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
EP-0223974-A1 N-Substituted-N-[3-(1,2,4-triazolo[4,3-b]pyridazin-6-yl)-phenyl]alkanamides, carbamates and ureas AMERICAN CYANAMID COMPANY (US) 1987-06-03 EP disclosed