SCHEMBL19657828

SCHEMBL19657828

C=C(CC(C)(C)C)N1CCCc2c(Cl)cc(-c3ccccc3C)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 4/20 0.36
RIPK1 Q13546 3/20 0.33
PLA2G7 Q13093 1/20 0.32
FTO Q9C0B1 1/20 0.32
KCNQ2 O43526 2/20 0.32
GRIN2B Q13224 1/20 0.32
SMYD2 Q9NRG4 1/20 0.31
ABCB1 P08183 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL19657386 0.88 CREBBP (0.36) CREBBPRIPK1PLA2G7KCNQ2GRIN2B
SCHEMBL19657912 0.84 CREBBP (0.41) CREBBPRIPK1PLA2G7KCNQ2SMYD2
SCHEMBL24258514 0.84 CREBBP (0.36) CREBBPRIPK1PLA2G7FTOABCB1
SCHEMBL19657383 0.82 CREBBP (0.45) CREBBPRIPK1PLA2G7FTOGRIN2B
SCHEMBL24258482 0.72 RIPK1 (0.45) CREBBPRIPK1PLA2G7KCNQ2GRIN2B
SCHEMBL19657387 0.70 CREBBP (0.54) CREBBPRIPK1PLA2G7GRIN2BSMYD2
SCHEMBL19657916 0.69 CREBBP (0.45) CREBBPRIPK1PLA2G7GRIN2BSMYD2
SCHEMBL24258523 0.69 GPR142 (0.35) CREBBPRIPK1
SCHEMBL19657776 0.69 CREBBP (0.44) CREBBPPLA2G7GRIN2BSMYD2ABCB1
SCHEMBL19657381 0.69 CREBBP (0.56) CREBBPPLA2G7SMYD2ABCB1CDK4

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