SCHEMBL17875124

SCHEMBL17875124

O=C(O)NCCSSCCNC(=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
HPGD P15428 6/20 0.38
ALDH1A1 P00352 6/20 0.38
KCNN4 O15554 1/20 0.38
RAB9A P51151 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 3/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL17875119 0.90 KIF11 (0.44) KIF11HPGDALDH1A1KCNN4KMT2A
SCHEMBL17916338 0.89 MTNR1A (0.49) KIF11HPGDALDH1A1KCNN4RAB9A
SCHEMBL17916335 0.86 HDAC3 (0.46) HPGDALDH1A1KCNN4RAB9AKMT2A
SCHEMBL17916340 0.79 ALDH1A1 (0.41) HPGDALDH1A1KCNN4RAB9AKMT2A
SCHEMBL11417864 0.77 KCNN4 (0.46) KIF11HPGDALDH1A1KCNN4KMT2A
SCHEMBL17916606 0.76 CYP3A4 (0.42) HPGDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL17916522 0.75 HDAC3 (0.51) KIF11HPGDKCNN4RAB9AKMT2A
SCHEMBL22836045 0.74 KIF11 (0.49) KIF11HPGDALDH1A1KCNN4LMNA
SCHEMBL18913034 0.73 KCNN4 (0.42) KIF11HPGDALDH1A1KCNN4RAB9A
SCHEMBL4199968 0.72 KCNN4 (0.56) KIF11HPGDALDH1A1KCNN4KMT2A

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-3037097-A1 POLYROTAXANE AND MEDICINAL COMPOSITION National University Corporation Tokyo Medical and Dental University (JP) 2016-06-29 EP disclosed