SCHEMBL9537623

SCHEMBL9537623

COc1cc(OC)c(NC(=O)N(Cc2ccc3c(c2)Cc2ccccc2-3)C2CCCCCC2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
LMNA P02545 4/20 0.42
USP2 O75604 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TP53 P04637 3/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
THRB P10828 2/20 0.42
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
UBE2M P61081 3/20 0.40
DCUN1D1 Q96GG9 3/20 0.40
ROCK2 O75116 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL9257513 0.85 THRB (0.50) ALDH1A1LMNAUSP2NPSR1TP53
SCHEMBL9225707 0.84 ALDH1A1 (0.45) ALDH1A1LMNANPSR1TP53MAPT
SCHEMBL4106190 0.83 NPSR1 (0.45) ALDH1A1LMNANPSR1TP53MAPT
SCHEMBL29427715 0.83 NPSR1 (0.45) ALDH1A1LMNANPSR1TP53MAPT
SCHEMBL9219992 0.83 SMN1; SMN2 (0.45) ALDH1A1LMNANPSR1TP53MAPT
SCHEMBL9227832 0.83 NPSR1 (0.45) ALDH1A1LMNANPSR1TP53MAPT
SCHEMBL9225885 0.82 UBE2M (0.51) ALDH1A1NPSR1TP53UBE2MDCUN1D1
SCHEMBL9218431 0.81 ALDH1A1 (0.41) ALDH1A1NPSR1TP53POLBUBE2M
SCHEMBL9222967 0.81 ALDH1A1 (0.41) ALDH1A1NPSR1TP53POLBUBE2M
SCHEMBL9226752 0.78 RAB9A (0.51) ALDH1A1NPSR1TP53MAPTRAB9A

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
JP-5170727-A None JP disclosed
JP-H05170727-A UREA DERIVATIVE YAMANOUCHI PHARMACEUT CO LTD 1993-07-09 JP disclosed