SCHEMBL7249154

SCHEMBL7249154

NCC1(CNC(=O)Cc2ccccc2)CC[S+]([O-])CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 5/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 3/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.41
NPC1 O15118 3/20 0.41
MEN1 O00255 2/20 0.41
KCNH2 Q12809 1/20 0.41
HPGD P15428 2/20 0.40
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 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
SCHEMBL7249605 0.82 POLB (0.45) CA1CA2CA5ACA7CA5B
SCHEMBL7249447 0.82 ALDH1A1 (0.44) CA1CA2CA5ACA7CA5B
SCHEMBL7250646 0.82 ALDH1A1 (0.44) CA1CA2CA5ACA7CA5B
SCHEMBL7248648 0.81 ALDH1A1 (0.44) CA1CA2CA5ACA7CA5B
SCHEMBL7249859 0.80 NPFFR1 (0.52) ALDH1A1LMNARAB9AL3MBTL1KMT2A
SCHEMBL7248229 0.79 NPFFR1 (0.60)
SCHEMBL28743311 0.73 ALDH1A1 (0.40) CA1CA2CA5ACA7CA5B
SCHEMBL27573109 0.72 POLB (0.42) CA1CA2CA5ACA7CA5B
SCHEMBL2877082 0.71 NPFFR1 (0.56) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL27448810 0.71 HPGD (0.49) CA1CA2CA5ACA7CA5B

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-6545022-B1 Treatment of epilepsy, faintness attacks, hypokinesia, cranial disorders, neurodegenerative disorders, depression, anxiety, panic, pain, neuropathological disorders, inflammatory diseases, and gastrointestinal disorders PFIZER INC. 2003-04-08 US disclosed