SCHEMBL7986705

SCHEMBL7986705

CC(=O)OC(=O)CN1C(=O)N[C@@](C)(c2ccc(CN)cc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
Acetic Acid SCHEMBL7986699 0.84 KMT2A (0.59) L3MBTL1KMT2AMEN1
Acetic Acid SCHEMBL7986702 0.84 KMT2A (0.59) L3MBTL1KMT2AMEN1
SCHEMBL7031885 0.84 KMT2A (0.62) L3MBTL1KMT2AMEN1
SCHEMBL8476428 0.84 KMT2A (0.62) L3MBTL1KMT2AMEN1
SCHEMBL7034455 0.84 KMT2A (0.62) L3MBTL1KMT2AMEN1
Hydrochloric Acid SCHEMBL7970485 0.83 KMT2A (0.60) L3MBTL1KMT2AMEN1
Hydrochloric Acid SCHEMBL7970480 0.83 KMT2A (0.60) L3MBTL1KMT2AMEN1
Hydrochloric Acid SCHEMBL7970486 0.83 KMT2A (0.60) L3MBTL1KMT2AMEN1
SCHEMBL7982744 0.70 KMT2A (0.64) L3MBTL1KMT2AMEN1POLB
SCHEMBL7982748 0.70 KMT2A (0.64) L3MBTL1KMT2AMEN1POLB

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
US-6191282-B1 DERIVATIVES OF 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC RING IS USED AS ANTICARCINOGENIC AGENT AND ANTICOAGULANT HOECHST MARION ROUSSEL (DE) 2001-02-20 US disclosed
US-5981492-A ADMINISTERED TO THE PATIENT TO INHIBIT THROMBOCYTE AGGREGATION, THE METASTASIZATION OF CARCINOMA CELLS, THE BINDING OF OSTEOCLASTS TO THE BONE SURFACE, OR FOR THE TREATMENT OF THROMBOSES HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed