SCHEMBL8994019

SCHEMBL8994019

Cc1nc(N2CCCCC2)cc(=O)n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HIF1A Q16665 1/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.46
HRH4 Q9H3N8 2/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
KDM4E B2RXH2 4/20 0.43
GAA P10253 4/20 0.43
ACHE P22303 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
PRKDC P78527 1/20 0.41
AKT1 P31749 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL5387398 0.71 SMN1; SMN2 (0.44) ALDH1A1KMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL32687970 0.69 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1HIF1ASMN1; SMN2
SCHEMBL17827822 0.69 SMN1; SMN2 (0.47) ALDH1A1KMT2AMEN1HIF1ACRHBP
SCHEMBL11825534 0.69 TSHR (0.46) ALDH1A1LMNAL3MBTL1KDM4EGAA
SCHEMBL5378566 0.68 HRH4 (0.42) KMT2ACRHBPCRHR2SMN1; SMN2HRH4
SCHEMBL5365792 0.68 KDM4E (0.49) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL32688089 0.68 PIK3CA (0.48) PRKDCAKT1
SCHEMBL25360705 0.67 PIK3CA (0.51) PRKDCAKT1
SCHEMBL5791348 0.67 SMN1; SMN2 (0.68) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL15274303 0.66 ITGA2B (0.44) ALDH1A1KMT2AMEN1HIF1ACRHBP

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
EP-0724573-A1 PYRIMIDINONES AS ANTIARTHRITIC AND ANTI-INFLAMMATORIES PHARMACIA & UPJOHN COMPANY (US) 1996-08-07 EP disclosed
WO-1995011235-A1 PYRIMIDINONES AS ANTIARTHRITIC AND ANTI-INFLAMMATORIES THE UPJOHN COMPANY (US) 1995-04-27 WO disclosed