SCHEMBL10684334

SCHEMBL10684334

C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)s2)C[C@H](C)O1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NPC1 O15118 1/20 0.37
HSD17B10 Q99714 1/20 0.37
YEATS4 O95619 1/20 0.36
ALDH1A1 P00352 6/20 0.35
HPGD P15428 4/20 0.35
CYP2C19 P33261 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.34
HTT P42858 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 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
SCHEMBL10683685 1.00 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AMEN1LMNAHRH3
SCHEMBL10682262 0.80 ALDH1A1 (0.42) SMN1; SMN2KMT2AMEN1LMNAHRH3
SCHEMBL9820846 0.77 HRH3 (0.47) LMNAHRH3NPC1HSD17B10HTT
SCHEMBL10680602 0.76 MAPK1 (0.41) KMT2ALMNAHRH3NPC1YEATS4
SCHEMBL10678148 0.76 YEATS4 (0.39) KMT2ALMNANPC1YEATS4MAPK1
SCHEMBL10684339 0.74 HRH3 (0.39) SMN1; SMN2KMT2AMEN1HRH3NPC1
SCHEMBL10683557 0.74 HRH3 (0.39) SMN1; SMN2KMT2AMEN1HRH3NPC1
SCHEMBL19001110 0.74 YEATS4 (0.62) SMN1; SMN2KMT2AMEN1LMNANPC1
SCHEMBL19001105 0.74 YEATS4 (0.62) SMN1; SMN2KMT2AMEN1LMNANPC1
SCHEMBL10682744 0.72 SIGMAR1 (0.38) SMN1; SMN2KMT2ALMNAALDH1A1HTT

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
US-4743602-A AND CORRESPONDING FURANS, PYRROLES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-10 US disclosed