SCHEMBL7778427

SCHEMBL7778427

COc1cc(CN(CC(C)O)C(=O)c2c(-c3ccccc3)ccnc2Cl)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.46
▸ MAPT P10636 3/20 0.43
▸ THRB P10828 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LPAR1 Q92633 2/20 0.40
▸ TACR1 P25103 2/20 0.38
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 0.37
▸ TUBB8 Q3ZCM7 1/20 0.37
▸ TUBA3E Q6PEY2 1/20 0.37
▸ TUBA1A Q71U36 1/20 0.37

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
SCHEMBL6991045 0.88 TP53 (0.48) TP53MAPTTHRBTDP1POLB
SCHEMBL6989439 0.86 LPAR1 (0.48) TP53MAPTTHRBTDP1POLB
SCHEMBL7089304 0.79 RAF1 (0.47) TP53MAPTTHRBPOLBKDM4E
SCHEMBL6991831 0.78 TACR1 (0.39) MAPTTDP1ALDH1A1TACR1
SCHEMBL6988032 0.78 TACR1 (0.39) MAPTTDP1ALDH1A1TACR1
SCHEMBL6988027 0.78 TACR1 (0.39) MAPTTDP1ALDH1A1TACR1
SCHEMBL6983809 0.74 TACR1 (0.57) TACR1
SCHEMBL6988800 0.74 TACR1 (0.57) TACR1
SCHEMBL6986953 0.72 CNR1 (0.40) MAPTPOLBALDH1A1LPAR1TACR1
SCHEMBL6986957 0.72 CNR1 (0.40) MAPTPOLBALDH1A1LPAR1TACR1

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
EP-1145714-A1 DRUGS Takeda Chemical Industries, Ltd. (JP) 2001-10-17 — — EP disclosed
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