SCHEMBL11201529

SCHEMBL11201529

CCc1nc2ccccc2n1CCCCl

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
TP53 P04637 3/20 0.66
TSHR P16473 3/20 0.64
RECQL P46063 1/20 0.64
MAPK1 P28482 1/20 0.64
GAA P10253 2/20 0.64
RAB9A P51151 3/20 0.57
LMNA P02545 3/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
USP2 O75604 1/20 0.52
TLR8 Q9NR97 2/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 1/20 0.51

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
SCHEMBL11192277 0.90 TSHR (0.68) MAPTSMN1; SMN2TP53TSHRRECQL
SCHEMBL14417368 0.87 TSHR (0.68) MAPTSMN1; SMN2TP53TSHRRECQL
SCHEMBL31066873 0.84 TLR8 (0.68) MAPTSMN1; SMN2TP53TSHRRECQL
SCHEMBL31066866 0.84 TLR8 (0.68) MAPTSMN1; SMN2TP53TSHRRECQL
SCHEMBL10980298 0.83 MAPK1 (0.71) MAPTSMN1; SMN2TP53TSHRRECQL
SCHEMBL30062763 0.82 TSHR (0.58) MAPTSMN1; SMN2TP53TSHRRECQL
SCHEMBL28566828 0.82 TSHR (0.58) MAPTSMN1; SMN2TP53TSHRRECQL
SCHEMBL11199073 0.82 LMNA (0.70) MAPTSMN1; SMN2TP53TSHRRECQL
SCHEMBL8684990 0.81 LMNA (0.68) SMN1; SMN2TP53TSHRRAB9ALMNA
SCHEMBL11195872 0.81 TSHR (0.68) MAPTSMN1; SMN2TP53TSHRRECQL

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