SCHEMBL7676765

SCHEMBL7676765

O=C(c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(-c3ccc([N+](=O)[O-])cc3)n2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
MAPK1 P28482 1/20 0.46
MAOA P21397 1/20 0.41
MARK4 Q96L34 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP2 O95551 1/20 0.38
CDK2 P24941 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
SRD5A2 P31213 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL7679500 0.89 CDK2 (0.43) CDK2CDK4
SCHEMBL7682045 0.87 CDK2 (0.43) CDK2ALDH1A1MAPTKDM4ECDK4
SCHEMBL7677596 0.86 CDK2 (0.41) MARK4KMT2ACDK2LMNASMN1; SMN2
SCHEMBL7680034 0.86 CDK2 (0.40) MARK4CDK2MAPTCDK4
SCHEMBL7674349 0.86 TRPV1 (0.40) CDK2SRD5A2CDK4
SCHEMBL7675092 0.85 AKT1 (0.47) CDK2LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL7680199 0.84 TLR7 (0.39) CDK2MAPTCDK4
SCHEMBL7673955 0.84 NPC1 (0.42) MAOAMEN1KMT2ACDK2SMN1; SMN2
SCHEMBL7680009 0.83 CDK2 (0.39) CDK2NPC1RAB9ACDK4
SCHEMBL7676827 0.83 ABCC9 (0.38) CDK2ALDH1A1NPC1KDM4ERXFP1

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
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed