SCHEMBL9003318

SCHEMBL9003318

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2A6 P11509 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.35
RORC P51449 1/20 0.35
MAPT P10636 1/20 0.35
MAOB P27338 3/20 0.33
MAOA P21397 2/20 0.33
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
CTBP2 P56545 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.31
KDM1A O60341 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MGLL Q99685 1/20 0.31
CYP19A1 P11511 3/20 0.31
CYP11B1 P15538 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
SCHEMBL8852361 0.80 TSHR (0.46) TSHRHSD17B10CYP2A6LTB4R2RORC
SCHEMBL9003590 0.79 CYP2A6 (0.36) TSHRHSD17B10CYP2A6RORCMAPT
SCHEMBL8646263 0.78 TSHR (0.40) TSHRHSD17B10CYP2A6LTB4R2RORC
SCHEMBL9003759 0.76 TSHR (0.39) TSHRHSD17B10CYP2A6LTB4R2RORC
SCHEMBL5925671 0.74 HPGD (0.33) TSHRSMN1; SMN2L3MBTL1
SCHEMBL9003603 0.74 MAPT (0.41) TSHRCYP2A6MAPTMAOBMAOA
SCHEMBL8660756 0.73
SCHEMBL8757351 0.73 CES2 (0.34) TSHRSMN1; SMN2
SCHEMBL9003657 0.71 MAOA (0.38) TSHRHSD17B10CYP2A6LTB4R2RORC
SCHEMBL225939 0.71 TSHR (0.38) TSHRSMN1; SMN2

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