SCHEMBL22369197

SCHEMBL22369197

O=C1CCNc2c(cccc2C(=O)NCc2ccccc2OC(F)F)N1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 5/20 0.53
▸ BRD4 O60885 3/20 0.53
▸ HPGD P15428 3/20 0.41
▸ LIPG Q9Y5X9 1/20 0.40
▸ MAPK1 P28482 6/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ RCE1 Q9Y256 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SLC40A1 Q9NP59 1/20 0.37
▸ PLA2G1B P04054 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36

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
SCHEMBL17680984 0.86 CREBBP (0.70) CREBBPBRD4HPGD
SCHEMBL22368655 0.76 BRD4 (0.61) CREBBPBRD4HPGD
SCHEMBL16088694 0.73 HTT (0.58) HPGDLIPGKDM4EALDH1A1RCE1
SCHEMBL16127844 0.72 HPGD (0.57) HPGDLIPGKDM4EALDH1A1RCE1
SCHEMBL22368804 0.71 CREBBP (0.62) CREBBPBRD4ALDH1A1
SCHEMBL17680982 0.71 CREBBP (0.64) CREBBPBRD4ALDH1A1
SCHEMBL22369195 0.69 MT-CO2 (0.44) CREBBPBRD4HPGDKDM4EALDH1A1
SCHEMBL17673184 0.69 CREBBP (1.00) CREBBPBRD4
SCHEMBL17680977 0.69 CREBBP (0.68) CREBBPBRD4HPGDKDM4EALDH1A1
SCHEMBL1963128 0.68 CRBN (0.66) —

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-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 — — EP disclosed
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