SCHEMBL19903834

SCHEMBL19903834

Cc1cccc(C(=O)N(C)CCO)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CDK4 P11802 1/20 0.55
CCND1 P24385 1/20 0.55
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PARP1 P09874 1/20 0.49
PDK2 Q15119 1/20 0.47
ACACB O00763 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
GYS1 P13807 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
KCNK3 O14649 1/20 0.42
KCNH2 Q12809 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 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
SCHEMBL12163948 0.87 HPGD (0.63) HPGDTDP1CDK4CCND1MEN1
SCHEMBL11913144 0.84 HPGD (0.74) HPGDTDP1CDK4CCND1MEN1
SCHEMBL2228900 0.84 HPGD (0.59) HPGDTDP1CDK4CCND1MEN1
SCHEMBL23417313 0.83 HPGD (0.51) HPGDTDP1CDK4CCND1MEN1
SCHEMBL842996 0.83 HPGD (0.54) HPGDTDP1CDK4CCND1MEN1
SCHEMBL12677910 0.83 HPGD (0.54) HPGDTDP1CDK4CCND1MEN1
SCHEMBL15930096 0.83 HPGD (0.54) HPGDTDP1CDK4CCND1MEN1
SCHEMBL2225809 0.83 HPGD (0.54) HPGDTDP1CDK4CCND1MEN1
SCHEMBL3646900 0.82 MEN1 (0.51) CDK4CCND1MEN1KMT2APARP1
SCHEMBL21413678 0.82 CDK4 (0.56) HPGDCDK4CCND1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2928890-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2018-02-28 EP disclosed