SCHEMBL11205958

SCHEMBL11205958

CCc1nc2cc(Cl)ccc2n1CCCCl

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
TP53 P04637 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
BACE1 P56817 4/20 0.50
NUDT1 P36639 1/20 0.50
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.44
RECQL P46063 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TBXA2R P21731 1/20 0.41
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL11201306 0.87 BACE1 (0.67) MAPTTP53SMN1; SMN2BACE1NUDT1
SCHEMBL23100606 0.86 MAPT (0.53) MAPTTP53SMN1; SMN2BACE1NUDT1
SCHEMBL13677252 0.83 KMT2A (0.51) MAPTTP53SMN1; SMN2BACE1NUDT1
SCHEMBL22777751 0.83 BACE1 (0.50) MAPTTP53SMN1; SMN2BACE1NUDT1
SCHEMBL11193333 0.82 KMT2A (0.71) MAPTTP53BACE1NUDT1KMT2A
SCHEMBL11202328 0.81 KDM4E (0.53) MAPTTP53SMN1; SMN2BACE1NUDT1
SCHEMBL11201529 0.81 MAPT (0.66) MAPTTP53SMN1; SMN2KMT2AGAA
SCHEMBL17876423 0.79 KMT2A (0.49) MAPTTP53SMN1; SMN2BACE1NUDT1
SCHEMBL13677244 0.77 GAA (0.47) MAPTTP53SMN1; SMN2BACE1NUDT1
SCHEMBL22788758 0.77 BACE1 (0.47) MAPTTP53SMN1; SMN2BACE1NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4377578-A ANTIANAPHYLACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1983-03-22 US disclosed
US-4250176-A BENZIMIDAZOLE-2-ONE, BENZOTHIAZOL-2-ONE, OR BENZOXAZOL-2-ONE SUBSTITUTIONS, ANTIANAPHALACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1981-02-10 US disclosed
US-4200641-A ANTIANAPHYLACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1980-04-29 US disclosed