SCHEMBL17366169

SCHEMBL17366169

O=C1c2ccccc2C(c2ccc(Cl)cc2)N1Cc1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.58
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
CASP3 P42574 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
THRB P10828 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL30121977 0.93 MDM2 (0.64) MDM2TP53MAPTALDH1A1GAA
SCHEMBL17366151 0.87 MDM2 (0.58) MDM2TP53MAPTALDH1A1GAA
SCHEMBL17366174 0.87 MDM2 (0.58) MDM2TP53MAPTALDH1A1GAA
SCHEMBL17366155 0.84 CYP2C9 (0.56) MDM2MAPTCA12CA1CA9
SCHEMBL17366179 0.84 MDM2 (0.55) MDM2TP53MAPTCASP3ALDH1A1
SCHEMBL17366170 0.84 MDM2 (0.64) MDM2TP53MAPTALDH1A1GAA
SCHEMBL17366150 0.84 MDM2 (0.55) MDM2TP53ALDH1A1GAAHTT
SCHEMBL17366148 0.83 CYP2C9 (0.57) MDM2TP53CA12CA1CA9
SCHEMBL17366156 0.83 MDM2 (0.60) MDM2TP53MAPTALDH1A1GAA
SCHEMBL17366172 0.80 MDM2 (0.54) MDM2TP53MAPTALDH1A1GAA

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
EP-2960233-B1 NEW THERAPEUTIC AGENTS CANCER RESEARCH TECH LTD (GB) 2019-10-30 EP disclosed
EP-2960233-A1 NEW THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2015-12-30 EP disclosed