SCHEMBL20040955

SCHEMBL20040955

CC1CC(=O)N(c2cc(N)cc(C(F)(F)F)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 0.42
RECQL P46063 1/20 0.38
DPP4 P27487 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
GRM5 P41594 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 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
SCHEMBL15542604 0.76 NR2E1 (0.41) NR2E1
SCHEMBL18570204 0.75 RECQL (0.61) RECQLSMN1; SMN2KMT2ACA12CA1
SCHEMBL30157878 0.73 RECQL (0.41) RECQLDPP4LMNAMEN1KMT2A
SCHEMBL10445909 0.73 DPP4 (0.39) NR2E1RECQLDPP4MEN1KMT2A
SCHEMBL2747819 0.72 LMNA (0.46) NR2E1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL27508461 0.72 ADRB1 (0.46) NR2E1DPP4MEN1KMT2AUSP2
SCHEMBL30157390 0.72 SLC6A2 (0.42) RECQLMEN1KMT2APOLBCA12
SCHEMBL26723886 0.71 RECQL (0.47) RECQLGRM5KMT2ACA12CA1
SCHEMBL16904558 0.71 NR2E1 (0.43) NR2E1DPP4SMN1; SMN2MEN1KMT2A
SCHEMBL5841909 0.70 RECQL (0.62) RECQLSMN1; SMN2MEN1KMT2APOLB

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-2864289-B1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTED AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS CB THERAPEUTICS INC (KY) 2018-04-11 EP disclosed