SCHEMBL7849030

SCHEMBL7849030

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCCCCO

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HLCS P50747 1/20 0.73
TDP1 Q9NUW8 5/20 0.72
MEN1 O00255 1/20 0.62
ABL1 P00519 1/20 0.62
LMNA P02545 1/20 0.62
PKM P14618 1/20 0.62
IDE P14735 1/20 0.62
MAPK1 P28482 1/20 0.62
KMT2A Q03164 1/20 0.62
RIN1 Q13671 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
PLCD1 P51178 1/20 0.61
ITGB1 P05556 1/20 0.58
ITGA4 P13612 1/20 0.58
FGF1 P05230 1/20 0.58
FGF2 P09038 1/20 0.58

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
SCHEMBL14134804 0.99 TDP1 (0.74) HLCSTDP1MEN1ABL1LMNA
SCHEMBL18874899 0.95 TDP1 (0.72) HLCSTDP1MEN1ABL1LMNA
SCHEMBL9836641 0.95 TDP1 (0.72) HLCSTDP1MEN1ABL1LMNA
SCHEMBL10063434 0.95 TDP1 (0.72) HLCSTDP1MEN1ABL1LMNA
SCHEMBL18779801 0.95 TDP1 (0.78) HLCSTDP1MEN1ABL1LMNA
SCHEMBL16103873 0.92 TDP1 (0.70) HLCSTDP1MEN1ABL1LMNA
SCHEMBL15872096 0.92 TDP1 (0.70) HLCSTDP1MEN1ABL1LMNA
SCHEMBL21206305 0.92 TDP1 (0.70) HLCSTDP1MEN1ABL1LMNA
SCHEMBL8704131 0.92 TDP1 (0.70) HLCSTDP1MEN1ABL1LMNA
SCHEMBL16625035 0.92 TDP1 (0.70) HLCSTDP1MEN1ABL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0718300-B1 Carbodiimide derivative NISSHIN SPINNING (JP) 2001-11-21 EP disclosed
US-5789588-A BIOTIN DERIVATIIVES OF CARBODIIMIDE FOR NUCLEIC ACIDS AND PROTEINS NISSHINBO INDUSTRIES, INC. (JP) 1998-08-04 US disclosed
US-5700935-A LABEL FOR INTRODUCING BIOTIN GROUP INTO NUCLEIC ACID NISSHINBO INDUSTRIES, INC. (JP) 1997-12-23 US disclosed
EP-0718300-A1 Carbodiimide derivative NISSHINBO INDUSTRIES, INC. (JP) 1996-06-26 EP disclosed
US-4895955-A Non-radioactive carbodiimide precursor to nucleic acid probes LIFECODES CORPORATION (US) 1990-01-23 US disclosed