SCHEMBL8997933

SCHEMBL8997933

Brc1[c]ccc(N2CCOC(c3cccs3)C2)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
SLC6A9 P48067 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
SCHEMBL8664503 0.79 SMN1; SMN2 (0.49) MAPTSMN1; SMN2KDM4ETSHRHTT
SCHEMBL8665479 0.73 NPC1 (0.46) MAPTSMN1; SMN2KDM4E
SCHEMBL6994158 0.69 LMNA (0.46) MAPTSMN1; SMN2KDM4ETSHRHTT
SCHEMBL18110503 0.65 BRD4 (0.41) MAPTSMN1; SMN2KDM4ETSHRHTT
SCHEMBL18110505 0.65 SMN1; SMN2 (0.39) MAPTSMN1; SMN2KDM4EL3MBTL1TSHR
SCHEMBL20298951 0.65 AR (0.38) MAPTSMN1; SMN2
SCHEMBL30100985 0.64 BRD4 (0.40) MAPTSMN1; SMN2KDM4ETSHRHTT
SCHEMBL6989683 0.64 TERT (0.40) MAPTKDM4EL3MBTL1HTT
SCHEMBL19690771 0.64
SCHEMBL8917481 0.64 DRD3 (0.54) KDM4ETSHRHTT

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-5574030-A INHIBITING URINARY CONTRACTION, HETEROCYCLIC DIAMINES NIPPON CHEMIPHAR CO., LTD. (JP) 1996-11-12 US disclosed