SCHEMBL8997920

SCHEMBL8997920

Brc1[c]ccc(-c2ccccc2)c1N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
AR P10275 2/20 0.41
HSD17B10 Q99714 4/20 0.40
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
CASP7 P55210 1/20 0.40
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 2/20 0.39
STK4 Q13043 1/20 0.39
STK3 Q13188 1/20 0.39
LRRK2 Q5S007 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.39
PRKDC P78527 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4A P27815 1/20 0.38

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
SCHEMBL8664845 0.84 LMNA (0.43) LMNAARHSD17B10ALDH1A1TSHR
SCHEMBL8997929 0.78 NPC1 (0.44) LMNAHSD17B10ALDH1A1TSHRHTT
SCHEMBL3953577 0.71 AR (0.47) LMNAARHSD17B10ALDH1A1TSHR
SCHEMBL8663997 0.69 KMT2A (0.46) LMNAHSD17B10ALDH1A1TSHRHPGD
SCHEMBL3545306 0.68 LMNA (0.41) LMNAHSD17B10ALDH1A1TSHRHTT
SCHEMBL11487198 0.68 ALDH1A1 (0.43) HSD17B10ALDH1A1HPGDMAPK1TDP1
SCHEMBL28431276 0.68 HTT (0.46) LMNAARHSD17B10ALDH1A1TSHR
SCHEMBL15362290 0.67 HTR7 (0.62) LMNAARHSD17B10ALDH1A1TSHR
SCHEMBL8664432 0.66 LMNA (0.47) LMNAARHSD17B10ALDH1A1TSHR
SCHEMBL11567511 0.65 KDM4E (0.44) LMNAHSD17B10ALDH1A1TSHRHTT

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