SCHEMBL16299534

SCHEMBL16299534

CC(C)c1ccc(NC(=O)I)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.59
RAB9A P51151 8/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
HPGD P15428 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
NPC1 O15118 6/20 0.50
TP53 P04637 4/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
LMNA P02545 2/20 0.50
EPHX1 P07099 2/20 0.50
EGFR P00533 1/20 0.50
EPHX2 P34913 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL19707622 0.83 RAB9A (0.76) KIF11RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL1027400 0.81 KIF11 (0.61) KIF11RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL104524 0.81 SMN1; SMN2 (0.61) KIF11RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL2096251 0.81 KIF11 (0.61) KIF11RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL5533028 0.79 KIF11 (0.89) KIF11RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL9836192 0.79 KIF11 (0.59) KIF11RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL349970 0.79 KIF11 (0.59) KIF11RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL103862 0.79 KMT2A (0.61) KIF11RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL23844169 0.78 LMNA (0.76) KIF11RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL799380 0.78 ALDH1A1 (0.66) KIF11RAB9ASMN1; SMN2HPGDMEN1

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
EP-1871375-B1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PTC THERAPEUTICS INC (US) 2012-02-29 EP disclosed