SCHEMBL9080958

SCHEMBL9080958

CC(O)=C(C#N)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.74
ALDH1A1 P00352 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
RAB9A P51151 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 1/20 0.53
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
G6PD P11413 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
CYP19A1 P11511 2/20 0.49
FFAR1 O14842 1/20 0.49
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 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
SCHEMBL8810121 1.00 DHODH (0.74) DHODHALDH1A1L3MBTL1RAB9AMEN1
SCHEMBL8812418 0.90 DHODH (0.63) DHODHALDH1A1L3MBTL1RAB9AMEN1
SCHEMBL9081360 0.90 DHODH (0.63) DHODHALDH1A1L3MBTL1RAB9AMEN1
SCHEMBL9080225 0.89 DHODH (0.62) DHODHALDH1A1L3MBTL1RAB9AMEN1
SCHEMBL8810683 0.89 DHODH (0.62) DHODHALDH1A1L3MBTL1RAB9AMEN1
SCHEMBL8811754 0.89 DHODH (0.63) DHODHALDH1A1L3MBTL1RAB9AMEN1
SCHEMBL8811901 0.89 DHODH (0.62) DHODHALDH1A1L3MBTL1RAB9AMEN1
SCHEMBL8809976 0.89 DHODH (0.63) DHODHALDH1A1L3MBTL1RAB9AMEN1
SCHEMBL9080385 0.89 DHODH (0.62) DHODHALDH1A1L3MBTL1RAB9AMEN1
SCHEMBL3250476 0.88 DHODH (0.82) DHODHALDH1A1L3MBTL1RAB9AMEN1

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-5532259-A ANTITUMOR HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-02 US disclosed
US-5494911-A TREATING LEUKEMIA, SARCOMA, CARCINOMA, LYMPHOMA, SKIN CANCER HOECHST AKTIENGESELLSCHAFT (DE) 1996-02-27 US disclosed