SCHEMBL19657571

SCHEMBL19657571

CNC(=O)c1c[nH]c2c(C(C)C)cc(C)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 4/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NR4A2 P43354 2/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ TRIM24 O15164 1/20 0.35
▸ EP300 Q09472 1/20 0.35
▸ BRD3 Q15059 1/20 0.35
▸ BRD9 Q9H8M2 1/20 0.35
▸ BRD7 Q9NPI1 1/20 0.35
▸ AR P10275 1/20 0.34
▸ BRPF1 P55201 1/20 0.34
▸ CFTR P13569 2/20 0.34
▸ LMNA P02545 2/20 0.32
▸ PARP14 Q460N5 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32

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
SCHEMBL30993004 0.84 CREBBP (0.45) CREBBPNR4A2BRD4TRIM24EP300
SCHEMBL21024069 0.82 CREBBP (0.41) CREBBPBRD4TRIM24EP300BRD3
SCHEMBL21024070 0.75 CREBBP (0.40) CREBBPCYP3A4NR4A2BRD4TRIM24
SCHEMBL27102751 0.73 GAA (0.36) ALDH1A1
SCHEMBL30993379 0.72 CREBBP (0.41) CREBBPNR4A2BRD4TRIM24EP300
SCHEMBL27102748 0.71 GAA (0.40) ALDH1A1
SCHEMBL19657314 0.70 CREBBP (0.44) CREBBPNR4A2BRD4LMNAALDH1A1
SCHEMBL16661684 0.70 NR4A2 (0.68) NR4A2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL21024066 0.69 CREBBP (0.43) CREBBPCYP3A4BRD4TRIM24EP300
SCHEMBL22822512 0.69 CREBBP (0.35) CREBBPCYP3A4BRD4TRIM24EP300

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-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — WO disclosed
Send feedback