SCHEMBL8345547

SCHEMBL8345547

Cc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CNC(=O)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TSHR P16473 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 2/20 0.42
TP53 P04637 1/20 0.40
P2RX7 Q99572 2/20 0.40
THRB P10828 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPK8 P45983 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 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
SCHEMBL7827224 0.87 KDM4E (0.49) ALDH1A1TSHRKDM4EHSD17B10POLB
SCHEMBL7831629 0.83 GHSR (0.42) ALDH1A1POLBTP53P2RX7THRB
SCHEMBL8800003 0.79 ALDH1A1 (0.41) ALDH1A1TSHRKDM4EHSD17B10POLB
SCHEMBL7827815 0.79 MEN1 (0.44) ALDH1A1POLBTP53THRBMAPT
SCHEMBL7815783 0.79 MEN1 (0.44) ALDH1A1POLBTP53THRBMAPT
SCHEMBL7823515 0.78 TSHR (0.40) TSHRPOLBRAB9AMAPK8
SCHEMBL7823417 0.78 MEN1 (0.43) ALDH1A1POLBTP53THRBMAPT
SCHEMBL8341651 0.77 RAB9A (0.45) ALDH1A1TSHRKDM4EHSD17B10POLB
SCHEMBL7831438 0.77 AKR1B1 (0.42) HSD17B10POLBTP53MAPTRAB9A
SCHEMBL7816995 0.76 MEN1 (0.41) ALDH1A1POLBTP53THRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5858995-A ADMINISTERING TO HUMANS AND ANIMALS IN THE TREATMENT OF DISEASES CAUSED BY ABNORMAL BONE METABOLISM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-01-12 US disclosed
WO-1995029907-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-09 WO disclosed