SCHEMBL11620173

SCHEMBL11620173

Cc1nnnn1CC([NH])=O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.61
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
HSD11B1 P28845 1/20 0.31
P2RX7 Q99572 1/20 0.30

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
SCHEMBL11710847 0.82 MAPK1 (0.62) MAPK1ALDH1A1LMNAHPGDNPC1
SCHEMBL13631407 0.77 MAPK1 (0.72) MAPK1ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL7764225 0.76 MAPK1 (0.36) MAPK1ALDH1A1HPGDCYP1A2KDM4C
SCHEMBL20518663 0.76 MAPK1 (1.00) MAPK1ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL18839784 0.76 MAPK1 (0.56) MAPK1ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL12843973 0.73 MAPK1 (0.66) MAPK1ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL10911332 0.72 MAPK1 (0.51) MAPK1LMNAKMT2ACYP1A2P2RX7
SCHEMBL95236 0.69
SCHEMBL10968077 0.68 KDM4E (0.50) MAPK1ALDH1A1LMNAHPGDHSD11B1
SCHEMBL11675781 0.67 MAPK1 (0.46) MAPK1ALDH1A1LMNAHPGDSMN1; SMN2

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-4072674-A FOR CEPHALOSPORIN CONGENERS SMITHKLINE CORPORATION (US) 1978-02-07 US claimed