SCHEMBL21702505

SCHEMBL21702505

CC(C)Cc1cc(C(=O)NCc2ccc(C3=NOC(C)N3)cc2)n(C)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ PPARG P37231 6/20 0.42
▸ PPARD Q03181 5/20 0.42
▸ PPARA Q07869 5/20 0.42
▸ PHGDH O43175 1/20 0.41
▸ GALR3 O60755 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ACKR3 P25106 1/20 0.34
▸ TP53 P04637 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MAPT P10636 1/20 0.33

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
SCHEMBL21683294 0.76 L3MBTL1 (0.47) L3MBTL1PPARGPPARDPPARAPHGDH
SCHEMBL21702468 0.73 HDAC4 (0.46) L3MBTL1PPARGPPARDPPARAPHGDH
SCHEMBL20108994 0.72 L3MBTL1 (0.49) L3MBTL1PPARGPPARDPPARAPHGDH
SCHEMBL6378084 0.65 L3MBTL1 (0.47) L3MBTL1PPARGPPARDPPARAPHGDH
SCHEMBL2215247 0.63 GRN (0.49) PHGDHACKR3
SCHEMBL27788500 0.62 ACKR3 (0.37) ACKR3
SCHEMBL15651678 0.62 SMYD3 (0.38) L3MBTL1PHGDHACKR3
SCHEMBL19463739 0.62 HDAC4 (0.59) —
SCHEMBL9195354 0.61 L3MBTL1 (0.64) L3MBTL1PPARGPPARDPPARAPHGDH
SCHEMBL24860614 0.60 POLB (0.43) LMNATP53MAPT

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
WO-2020033413-A2 MODULATORS OF RAS GTPASE TOSK, INC. (US) 2020-02-13 — — WO disclosed
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