SCHEMBL9003525

SCHEMBL9003525

N#Cc1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)C2CCCCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.35
MAOA P21397 4/20 0.35
CYP19A1 P11511 2/20 0.34
KDM1A O60341 1/20 0.34
CCR2 P41597 1/20 0.34
MAPT P10636 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
EPHX1 P07099 1/20 0.32
TACR1 P25103 1/20 0.32
MRGPRX1 Q96LB2 1/20 0.32
TSHR P16473 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 2/20 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 0.81 TSHR (0.48) MAOBMAOACYP19A1KDM1AMAPT
SCHEMBL9003665 0.75 MAPT (0.35) MAOBMAOACYP19A1KDM1AMAPT
SCHEMBL9003759 0.72 TSHR (0.39) MAOBMAOACYP19A1MAPTTSHR
SCHEMBL9003768 0.72 CYP2A6 (0.37) MAOBMAOACYP19A1MAPTHRH3
SCHEMBL9003483 0.71 NSD2 (0.36) MAOBMAOAKDM1AMAPTCYP11B1
SCHEMBL8756206 0.69 CYP2A6 (0.47) MAOBMAOACYP19A1KDM1AMAPT
SCHEMBL1127586 0.63 TSHR (0.46) MAOBTSHR
Cycloheptane SCHEMBL5912025 0.62 TSHR (0.59) MAOBMAOAMAPTHRH3TSHR
SCHEMBL14367116 0.62 MAOA (0.49) MAOBMAOACYP19A1HRH3EPHX1
Hydrochloric Acid SCHEMBL1042662 0.62 TSHR (0.43) MAOBCYP19A1TSHR

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