SCHEMBL11579869

SCHEMBL11579869

Cc1ccc(NC(=N)NC(N)=O)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 6/20 0.42
ALOX12 P18054 3/20 0.42
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
KDR P35968 1/20 0.37
P2RX1 P51575 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
SCHEMBL11578654 0.84 RAB9A (0.40) MAPTRAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL11580678 0.83 RAB9A (0.39) MAPTRAB9ATP53SMN1; SMN2NPSR1
SCHEMBL11581907 0.83 RAB9A (0.58) MAPTRAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL11579313 0.83 MAPT (0.44) MAPTRAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL11882975 0.82 MAPT (0.47) MAPTRAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL11578600 0.81 MAP2K2 (0.44) LMNAHPGDCYP1A2CYP2C19MEN1
SCHEMBL11579511 0.81 MEN1 (0.56) RAB9ATP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL4094802 0.80 KDM4E (0.52) MAPTRAB9ASMN1; SMN2ALDH1A1ALOX12
SCHEMBL11580082 0.79 ALDH1A1 (0.51) MAPTTP53ALDH1A1LMNAMEN1
SCHEMBL11095111 0.79 KIF11 (0.45) MAPTRAB9AALDH1A1CYP1A2MEN1

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
US-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 US disclosed