SCHEMBL7540622

SCHEMBL7540622

CNC(=O)N(C)c1ccc(CCl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.48
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
POLB P06746 1/20 0.35
MMP8 P22894 1/20 0.35

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
SCHEMBL29559018 0.87 ROCK2 (0.51) ROCK2HDAC1HDAC6ALDH1A1TSHR
SCHEMBL9408595 0.84 ROCK2 (0.59) ROCK2HDAC1HDAC6ALDH1A1SMN1; SMN2
SCHEMBL7587051 0.84 ROCK2 (0.49) ROCK2CA1CA2HDAC1HDAC6
SCHEMBL9173108 0.81 CA1 (0.45) CA1CA2HDAC1HDAC6ALDH1A1
SCHEMBL10469563 0.79 SMN1; SMN2 (0.53) CA1CA2ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5049977 0.79 ROCK2 (0.51) ROCK2ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL28278707 0.78 ROCK2 (0.41) ROCK2HDAC1HDAC6KDM4EEGFR
SCHEMBL8953609 0.78 CA1 (0.42) CA1CA2HDAC1HDAC6ALDH1A1
SCHEMBL5814273 0.77 ROCK2 (0.53) ROCK2ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL9706241 0.76 EGFR (0.58) CA1CA2ALDH1A1SMN1; SMN2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1250332-A1 INHIBITORS OF INTERLEUKIN 5 GENE EXPRESSION Abbott Laboratories (US) 2002-10-23 EP disclosed
WO-2001044223-A1 INHIBITORS OF INTERLEUKIN 5 GENE EXPRESSION ABBOTT LABORATORIES (US) 2001-06-21 WO disclosed