SCHEMBL9003665

SCHEMBL9003665

C=C[B-](c1ccccc1)(c1ccccc1)c1ccccc1.N#Cc1ccc(C[S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
MAOB P27338 5/20 0.35
TSHR P16473 1/20 0.34
MAOA P21397 4/20 0.34
LOXL2 Q9Y4K0 2/20 0.33
CYP2A6 P11509 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP19A1 P11511 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CTBP2 P56545 1/20 0.32
KDM1A O60341 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.31

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
SCHEMBL2325040 0.84 TSHR (0.48) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL9003525 0.75 MAOB (0.35) MAPTNPC1RAB9AMAOBTSHR
SCHEMBL9003759 0.75 TSHR (0.39) MAPTNPC1RAB9ASMN1; SMN2MAOB
SCHEMBL9003768 0.75 CYP2A6 (0.37) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL8756206 0.68 CYP2A6 (0.47) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL8756265 0.68 ALDH1A1 (0.41) TSHR
SCHEMBL1127586 0.66 TSHR (0.46) SMN1; SMN2MAOBTSHRLOXL2CYP2A6
Lithium Ion SCHEMBL8757350 0.66 ALDH1A1 (0.39) TSHR
Hydrochloric Acid SCHEMBL1042662 0.64 TSHR (0.43) SMN1; SMN2MAOBTSHRLOXL2CYP2A6
SCHEMBL5693416 0.63 TSHR (0.39) SMN1; SMN2MAOBTSHRLOXL2CYP2A6

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-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed