SCHEMBL27720256

SCHEMBL27720256

C[C@H]1CC[C@H](NC(N)=S)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
ALDH1A1 P00352 4/20 0.46
POLB P06746 2/20 0.46
RECQL P46063 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
ADRA2A P08913 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 1/20 0.34
GFER P55789 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
SCHEMBL16109065 1.00 EPHX1 (0.47) EPHX1ALDH1A1POLBRECQLSMN1; SMN2
SCHEMBL1473973 0.87
SCHEMBL2257067 0.77
SCHEMBL1475935 0.77
SCHEMBL348519 0.76 EPHX1 (0.47) EPHX1ALDH1A1POLBRECQLSMN1; SMN2
SCHEMBL3623543 0.76 EPHX1 (0.57) EPHX1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL28310343 0.76 EPHX1 (0.57) EPHX1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL19033004 0.76 EPHX1 (0.47) EPHX1ALDH1A1POLBRECQLSMN1; SMN2
SCHEMBL1605352 0.75 ALDH1A1 (0.64) EPHX1ALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL1605115 0.75 ALDH1A1 (0.64) EPHX1ALDH1A1POLBSMN1; SMN2RAB9A

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
CN-101166734-A Novel aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO INC (JP) 2008-04-23 CN disclosed