SCHEMBL8816306

SCHEMBL8816306

COc1cc(C(=O)Nc2ccc(Cl)cc2OCc2ccccc2)ccc1CNC(=O)c1cc(C)ccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ BRD4 O60885 5/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ SMPD1 P17405 3/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ MAOA P21397 1/20 0.43
▸ ROCK2 O75116 2/20 0.43
▸ ROCK1 Q13464 2/20 0.43

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
SCHEMBL8816300 0.81 BRD4 (0.45) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7519206 0.81 TAS1R3 (0.48) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8816554 0.80 KCNA3 (0.47) ALDH1A1TP53KMT2AKCNA3
SCHEMBL8817468 0.77 KMT2A (0.52) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL7512868 0.75 TAS1R3 (0.56) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8814366 0.74 CYP19A1 (0.44) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL7375499 0.73 MTTP (0.47) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7512604 0.72 KCNA3 (0.45) ALDH1A1TP53TAS1R3TAS1R1KMT2A
SCHEMBL8813752 0.71 KCNMA1 (0.49) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7342694 0.70 MYC (0.68) MAPTKDM4EALDH1A1TSHRBRD4

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-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 — — EP disclosed
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