SCHEMBL6979276

SCHEMBL6979276

O=[N+]([O-])c1cccc(Cc2[c]cccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
LMNA P02545 2/20 0.47
CYP19A1 P11511 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
PYCR1 P32322 1/20 0.42
KDM1A O60341 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL10956755 0.84 SIGMAR1 (0.54) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL6827681 0.83 POLB (0.49) TSHRLMNACYP1A2CYP2C19SIGMAR1
SCHEMBL6975437 0.81 ALDH1A1 (0.53) TSHRLMNACYP19A1CYP1A2CYP2D6
SCHEMBL10918542 0.80 TSHR (0.71) TSHRLMNACYP19A1CYP1A2CYP2D6
SCHEMBL29864638 0.79 TSHR (0.65) TSHRLMNACYP19A1CYP1A2CYP2D6
SCHEMBL5250015 0.79 TSHR (0.65) TSHRLMNACYP19A1CYP1A2CYP2D6
SCHEMBL3722491 0.78 RIPK1 (0.45) TSHRLMNACYP19A1CYP1A2CYP2D6
SCHEMBL6979279 0.76 TSHR (0.57) TSHRLMNACYP19A1CYP1A2CYP2D6
SCHEMBL11245398 0.75 MAOB (0.51) TSHRLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL6978733 0.75 TSHR (0.49) TSHRLMNACYP19A1CYP1A2CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1222511-C I-aryl-or-I-alkylsulfonyl-heterocyclylbenzazoles as 5-hydroxytryptamine-b ligands WYETH CO (US) 2005-10-12 CN disclosed
CN-1484638-A I-aryl-or-I-alkylsulfonyl-heterocyclylbenzazoles as 5-hydroxytryptamine-b ligands 2004-03-24 CN disclosed
EP-1343756-A2 1-ARYL- OR 1-ALKYLSULFONYL-HETEROCYCLYLBENZAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2003-09-17 EP disclosed
WO-2002036562-A2 1-ARYL- OR 1-ALKYLSULFONYL-HETEROCYCLYLBENZAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-05-10 WO disclosed