SCHEMBL2187968

SCHEMBL2187968

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2nc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
POLB P06746 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TSHR P16473 5/20 0.53
LMNA P02545 5/20 0.53
HTT P42858 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ATM Q13315 1/20 0.53
MAPK1 P28482 2/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 3/20 0.52
GAA P10253 1/20 0.50
CYP3A4 P08684 1/20 0.49

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
SCHEMBL2185882 0.94 LMNA (0.60) KMT2AMEN1POLBSMN1; SMN2TSHR
SCHEMBL2187066 0.91 LMNA (0.58) KMT2AMEN1POLBSMN1; SMN2TSHR
SCHEMBL27756397 0.90 LMNA (0.55) KMT2AMEN1POLBSMN1; SMN2TSHR
SCHEMBL2188169 0.90 LMNA (0.55) KMT2AMEN1POLBSMN1; SMN2TSHR
SCHEMBL2185460 0.88 KMT2A (0.57) KMT2AMEN1POLBSMN1; SMN2TSHR
SCHEMBL2188107 0.88 ALDH1A1 (0.57) KMT2AMEN1POLBSMN1; SMN2TSHR
SCHEMBL2187496 0.88 ATM (0.53) KMT2AMEN1POLBSMN1; SMN2TSHR
SCHEMBL2211193 0.87 KMT2A (0.52) KMT2AMEN1POLBSMN1; SMN2TSHR
SCHEMBL2185860 0.87 KMT2A (0.56) KMT2AMEN1POLBSMN1; SMN2TSHR
SCHEMBL2188167 0.85 KCNA5 (0.52) KMT2AMEN1POLBSMN1; SMN2TSHR

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-2343293-A1 NOVEL PIPERIDIN-4-YL-THIAZOLE-CARBOXAMIDE ANALOGUES AS INHIBITORS OF T-CELL PROLIFERATION AND USES THEREOF 4SC AG (DE) 2011-07-13 EP disclosed