SCHEMBL3972630

SCHEMBL3972630

Cc1cc(Nc2cc(OCCCBr)cc(C(F)(F)F)c2)c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 2/20 0.49
GAK O14976 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 2/20 0.43
GUSB P08236 1/20 0.43
MAPT P10636 1/20 0.43
NCF1 P14598 1/20 0.43
ACP1 P24666 1/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
BRAF P15056 1/20 0.41
MAPK14 Q16539 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC2A1 P11166 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
SCHEMBL3976760 0.95 TSHR (0.52) TSHRHTTLMNAGAKKDM4E
SCHEMBL3977889 0.91 TSHR (0.52) TSHRHTTLMNAGAKKDM4E
SCHEMBL3992613 0.89 TSHR (0.52) TSHRHTTLMNAGAKKDM4E
SCHEMBL4829993 0.85 TSHR (0.47) TSHRHTTLMNAGAKKDM4E
SCHEMBL4825278 0.85 TSHR (0.47) TSHRHTTLMNAGAKKDM4E
SCHEMBL4830085 0.85 TSHR (0.46) TSHRHTTLMNAGAKKDM4E
SCHEMBL4830082 0.84 TSHR (0.44) TSHRHTTLMNAGAKKDM4E
SCHEMBL14279589 0.84 TSHR (0.49) TSHRHTTLMNAGAKKDM4E
SCHEMBL4829994 0.84 TSHR (0.49) TSHRHTTLMNAGAKKDM4E
SCHEMBL4824478 0.84 TSHR (0.45) TSHRHTTLMNAGAKKDM4E

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
WO-2009063364-A2 MODULATORS OF UROTENSIN RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS INC. (US) 2009-05-22 WO disclosed
WO-2009063364-A2 MODULATORS OF UROTENSIN RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS INC. (US) 2009-05-22 WO disclosed
WO-2009053895-A2 QUINOLINE UROTENSIN-II RECEPTOR ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2009-04-30 WO disclosed
WO-2009053895-A2 QUINOLINE UROTENSIN-II RECEPTOR ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2009-04-30 WO disclosed