SCHEMBL14397366

SCHEMBL14397366

C/C=C\C(=C/C)n1cc(C)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.48
ALDH1A1 P00352 6/20 0.38
TGM2 P21980 1/20 0.37
TGM1 P22735 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 3/20 0.34
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
F2 P00734 1/20 0.30
PLAU P00749 1/20 0.30

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
SCHEMBL22492987 0.69 NOS1 (0.69) NOS1ALDH1A1TGM2TGM1MEN1
SCHEMBL23130448 0.66 NOS1 (0.41) NOS1ALDH1A1TGM2TGM1MEN1
SCHEMBL18600016 0.66 NOS1 (0.44) NOS1ALDH1A1TGM2TGM1MEN1
Hydrochloric Acid SCHEMBL11559050 0.65 NOS1 (0.53) NOS1ALDH1A1TGM2TGM1MEN1
Hydrochloric Acid SCHEMBL3432525 0.64 NOS1 (0.96) NOS1ALDH1A1TGM2TGM1MEN1
SCHEMBL15382058 0.63 NOS1 (0.50) NOS1ALDH1A1TGM2TGM1MEN1
SCHEMBL12230854 0.63 NOS1 (0.50) NOS1ALDH1A1TGM2TGM1MEN1
SCHEMBL24271351 0.63 NOS1 (0.50) NOS1ALDH1A1TGM2TGM1MEN1
SCHEMBL15233142 0.63 NOS1 (0.50) NOS1ALDH1A1TGM2TGM1MEN1
SCHEMBL23024744 0.61 NOS1 (0.48) NOS1ALDH1A1TGM2TGM1MAPT

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-2007118318-A1 USE OF IMIDAZO[2,1-b)]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN AEGERA THERAPEUTICS INC. (CA) 2007-10-25 WO disclosed