SCHEMBL21740214

SCHEMBL21740214

Cc1cccc2c1NC(C(=O)NC1Cc3ccccc3NC1=O)C2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 8/20 0.47
▸ PYGM P11217 6/20 0.47
▸ F11 P03951 1/20 0.45
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CREBBP Q92793 2/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ RIPK1 Q13546 6/20 0.38

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
SCHEMBL22051571 0.83 CREBBP (0.46) F11GAAMAPTCREBBPBRD4
SCHEMBL21739487 0.80 TAS1R3 (0.40) F11CREBBPBRD4
SCHEMBL21739515 0.77 TAS1R3 (0.51) MAPT
SCHEMBL14641138 0.77 PYGL (0.57) PYGLPYGMF11GAAMAPT
SCHEMBL25329367 0.76 PYGL (0.64) PYGLPYGMGAAMAPTCREBBP
SCHEMBL15541576 0.76 PYGL (0.64) PYGLPYGMGAAMAPTCREBBP
SCHEMBL29900499 0.76 PYGL (0.64) PYGLPYGMGAAMAPTCREBBP
SCHEMBL21739369 0.76 TAS1R3 (0.61) MAPT
SCHEMBL13891430 0.75 PYGL (0.50) PYGLPYGMF11GAAMAPT
SCHEMBL2837105 0.75 PYGL (0.60) PYGLPYGMF11CREBBPBRD4

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
WO-2020112872-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. (US) 2020-06-04 — — WO disclosed
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 — — WO disclosed
Send feedback