SCHEMBL21670263

SCHEMBL21670263

CCCC[C@@H](CC)C(=O)Nc1ccc(Cl)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 2/20 0.55
CA14 Q9ULX7 2/20 0.55
POLB P06746 1/20 0.52
TSHR P16473 2/20 0.51
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL21670265 0.88 LMNA (0.66) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL21670264 0.82 LMNA (0.62) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL25681987 0.79 KMT2A (0.72) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL12245070 0.79 LMNA (0.67) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL26899815 0.78 NPC1 (0.47) LMNAMEN1KMT2AMAPTMAPK1
SCHEMBL14400305 0.78 LMNA (0.54) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL19198292 0.77 SMN1; SMN2 (0.64) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL11691670 0.76 MEN1 (0.72) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL9324598 0.76 MEN1 (0.72) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL18882713 0.76 MEN1 (0.72) LMNAMEN1KMT2AALDH1A1MAPT

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
WO-2020028482-A1 SMALL MOLECULES THAT SENSITIZE HIV-1 INFECTED CELLS TO ANTIBODY DEPENDENT CELLULAR CYTOTOXICITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-02-06 WO disclosed