SCHEMBL6934236

SCHEMBL6934236

NCC(=O)Nc1ccc(C(N)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
ALDH1A1 P00352 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
TERT O14746 1/20 0.51
MAPK1 P28482 1/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LTA4H P09960 1/20 0.50
TP53 P04637 1/20 0.50
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL6930363 0.98 CA1 (0.56) CA1CA2ALDH1A1L3MBTL1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL6932230 0.88 MLYCD (0.48) CA1CA2ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL2568204 0.85 CA1 (0.60) CA1CA2ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL1663647 0.84 CA2 (0.58) CA1CA2ALDH1A1TERTPOLB
SCHEMBL7895751 0.82 ALDH1A1 (0.64) CA1CA2ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6932060 0.82 ALDH1A1 (0.51) ALDH1A1L3MBTL1SMN1; SMN2MAPK1POLB
SCHEMBL758271 0.82 MAPT (0.62) CA1CA2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL7753639 0.82 NPC1 (0.59) ALDH1A1L3MBTL1SMN1; SMN2MAPK1POLB
SCHEMBL8769568 0.79 KMT2A (0.56) CA1CA2SMN1; SMN2TERTPOLB
SCHEMBL656903 0.79 MEN1 (0.77) ALDH1A1MAPK1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859000-B1 Isoxazole amide and crotonamid derivatives and drug and diagnostic uses thereof AVENTIS PHARMA GMBH (DE) 2003-01-22 EP claimed
US-6265588-B1 USE AS PHARMACEUTICALS; AS AN ANTIGEN FOR PRODUCTION OF ANTIBODIES AND IN DIAGNOSIS AND PURIFICATION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-07-24 US disclosed
US-6121479-A ANTIINFLAMMATORY AND ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed
US-5977151-A ANTITUMOR HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-02 US disclosed