SCHEMBL7248648

SCHEMBL7248648

NCC1(CNC(=O)Cc2ccccc2)CCS(=O)(=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
EPHX2 P34913 1/20 0.42
HPGD P15428 2/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
POLB P06746 1/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41

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
SCHEMBL7249859 0.83 NPFFR1 (0.52) ALDH1A1LMNARAB9AL3MBTL1MEN1
SCHEMBL7249447 0.83 ALDH1A1 (0.44) ALDH1A1LMNAGAARAB9AMAPT
SCHEMBL7249605 0.83 POLB (0.45) ALDH1A1LMNAGAARAB9AMAPT
SCHEMBL7250646 0.83 ALDH1A1 (0.44) ALDH1A1LMNAGAARAB9AMAPT
SCHEMBL7249154 0.81 CA1 (0.44) ALDH1A1LMNAGAARAB9AMAPT
SCHEMBL7248229 0.80 NPFFR1 (0.60)
SCHEMBL2877082 0.75 NPFFR1 (0.56) ALDH1A1LMNAGAAEPHX2HPGD
SCHEMBL27448810 0.75 HPGD (0.49) ALDH1A1LMNAGAARAB9AMAPT
SCHEMBL28743311 0.74 ALDH1A1 (0.40) ALDH1A1LMNAGAARAB9AMAPT
SCHEMBL6367600 0.74 ALDH1A1 (0.50) ALDH1A1GAARAB9AMAPTEPHX2

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