SCHEMBL22383610

SCHEMBL22383610

Cc1ccc(CCNc2cc(=O)n(C(C)C(F)(F)F)c(=O)[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ GPR84 Q9NQS5 7/20 0.51
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ POLB P06746 2/20 0.37
▸ DAO P14920 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2B6 P20813 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ FABP4 P15090 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ GRM2 Q14416 1/20 0.34

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
SCHEMBL21667376 0.91 KMT2A (0.53) TP53SMN1; SMN2GPR84MEN1KMT2A
SCHEMBL22383609 0.82 CYP3A4 (0.41) TP53SMN1; SMN2GPR84MEN1KMT2A
SCHEMBL21667277 0.78 SMN1; SMN2 (0.49) TP53SMN1; SMN2MEN1KMT2AGLA
SCHEMBL21667365 0.76 SMN1; SMN2 (0.70) TP53SMN1; SMN2GPR84MEN1KMT2A
SCHEMBL16321957 0.73 CYP3A4 (0.41) TP53SMN1; SMN2MEN1KMT2AGLA
SCHEMBL22521704 0.69 SMN1; SMN2 (0.76) TP53SMN1; SMN2GPR84MEN1KMT2A
SCHEMBL16320891 0.69 CYP3A4 (0.74) TP53SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL21667334 0.69 SMN1; SMN2 (0.60) TP53SMN1; SMN2GPR84MEN1KMT2A
SCHEMBL16321173 0.69 CYP3A4 (0.74) TP53SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL16320892 0.69 CYP3A4 (0.74) TP53SMN1; SMN2MEN1KMT2ACYP3A4

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-3702352-A1 PYRIMIDINEDIONE COMPOUND AGAINST CARDIAC CONDITIONS Myokardia, Inc. (US) 2020-09-02 — — EP disclosed
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