SCHEMBL2187072

SCHEMBL2187072

O=C(c1csc(N2CCN(Cc3ccc(Br)cc3)CC2)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
KDM4C Q9H3R0 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
IGF1R P08069 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL2187377 0.92 CHRM4 (0.55) ALDH1A1KDM4EKDM4CTDP1LMNA
SCHEMBL2187462 0.89 KDM4E (0.50) ALDH1A1KDM4EKDM4CTDP1LMNA
SCHEMBL2185882 0.87 LMNA (0.60) ALDH1A1LMNANPSR1HTTSMN1; SMN2
SCHEMBL2187544 0.87 CHRM4 (0.50) ALDH1A1KDM4EKDM4CTDP1LMNA
SCHEMBL2187381 0.85 STAT3 (0.48) ALDH1A1KDM4EKDM4CTDP1LMNA
SCHEMBL2187066 0.85 LMNA (0.58) ALDH1A1LMNANPSR1HTTSMN1; SMN2
SCHEMBL2188169 0.84 LMNA (0.55) ALDH1A1LMNANPSR1HTTSMN1; SMN2
SCHEMBL27756397 0.84 LMNA (0.55) ALDH1A1LMNANPSR1HTTSMN1; SMN2
SCHEMBL2188107 0.82 ALDH1A1 (0.57) ALDH1A1KDM4ELMNANPSR1HTT
SCHEMBL2185460 0.82 KMT2A (0.57) ALDH1A1KDM4ELMNANPSR1HTT

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