SCHEMBL2186441

SCHEMBL2186441

O=C(Cc1ccc(F)cc1)N1CCC(c2nc(C(=O)N3CCC(n4nnc5ccccc54)CC3)cs2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
ALDH1A1 P00352 8/20 0.48
CNR1 P21554 1/20 0.46
USP2 O75604 3/20 0.44
LMNA P02545 5/20 0.43
ALOX15 P16050 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2186625 0.81 MAPT (0.56) L3MBTL1MEN1KMT2ARAB9AALDH1A1
SCHEMBL2188543 0.80 ALDH1A1 (0.52) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL2186974 0.78 CACNA2D1 (0.48) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL2188722 0.78 KDM4E (0.57) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL2188442 0.78 NPC1 (0.47) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL27679675 0.78 LMNA (0.50) L3MBTL1MEN1KMT2AALDH1A1CNR1
SCHEMBL2187333 0.76 MAPT (0.51) L3MBTL1KMT2AALDH1A1LMNAALOX15
SCHEMBL27698643 0.76 LMNA (0.51) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL2189118 0.76 F11 (0.48) ALDH1A1CNR1LMNAALOX15TSHR
SCHEMBL2187707 0.76 MLNR (0.41) L3MBTL1ALDH1A1LMNAALOX15TSHR

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