SCHEMBL6579658

SCHEMBL6579658

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.59
MEN1 O00255 1/20 0.59
ABL1 P00519 1/20 0.59
LMNA P02545 1/20 0.59
PKM P14618 1/20 0.59
IDE P14735 1/20 0.59
MAPK1 P28482 1/20 0.59
KMT2A Q03164 1/20 0.59
RIN1 Q13671 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HLCS P50747 6/20 0.52
CA12 O43570 7/20 0.47
CA1 P00915 7/20 0.47
CA2 P00918 7/20 0.47
CA9 Q16790 7/20 0.47

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
SCHEMBL6803047 0.87 HLCS (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL1271190 0.85 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL2536441 0.85 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
Hydrochloric Acid SCHEMBL3417755 0.84 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL2596553 0.83 TDP1 (0.59) TDP1MEN1ABL1LMNAPKM
SCHEMBL1309033 0.82 TDP1 (0.57) TDP1MEN1ABL1LMNAPKM
SCHEMBL2350071 0.82 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
Aminocaproic Acid SCHEMBL1518517 0.81 TDP1 (0.69) TDP1MEN1ABL1LMNAPKM
SCHEMBL12990072 0.81 HLCS (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL16141167 0.81 HLCS (0.72) TDP1MEN1ABL1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821696-B1 PEPTIDE ANTAGONISTS OF CELLULAR MITOGENESIS AND MOTOGENESIS AND THEIR THERAPEUTIC USE PHARMACIA ITALIA SPA (IT) 2004-05-06 EP disclosed
US-6288037-B1 C-TERMINALLY MODIFIED PENTAPEPTIDES CONTAINING VALINE AND ASPARTIC ACID BASF AKTIENGESELLSCHAFT (DE) 2001-09-11 US disclosed
US-6245742-B1 ANTITUMOR, ANTICARCINOGENIC AND ANTIMETASTASIS AGENTS; VIRICIDES, PSORIASIS, ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, PSORIASIS PHARMACIA & UPJOHN S.P.A. (IT) 2001-06-12 US disclosed
EP-0880542-A2 SUBSTRATES AND INHIBITORS FOR CYSTEINE PROTEASE ICH-1 BASF AG (US) 1998-12-02 EP disclosed
EP-0821696-A1 PEPTIDE ANTAGONISTS OF CELLULAR MITOGENESIS AND MOTOGENESIS AND THEIR THERAPEUTIC USE PHARMACIA & UPJOHN S.p.A. (IT) 1998-02-04 EP disclosed
WO-1997030079-A1 PEPTIDE ANTAGONISTS OF CELLULAR MITOGENESIS AND MOTOGENESIS AND THEIR THERAPEUTIC USE PHARMACIA & UPJOHN S.P.A. (IT) 1997-08-21 WO disclosed
WO-1997027220-A2 SUBSTRATES AND INHIBITORS FOR CYSTEINE PROTEASE ICH-1 BASF AG (US) 1997-07-31 WO disclosed