SCHEMBL172133

SCHEMBL172133

CCNC(=O)c1ccncc1C(C)CC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 1/20 0.42
KDM4C Q9H3R0 4/20 0.40
KDM6B O15054 3/20 0.40
KDM5A P29375 1/20 0.40
HTT P42858 1/20 0.40
PKM P14618 1/20 0.40
GAA P10253 3/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
PIM1 P11309 1/20 0.37
BAD Q92934 1/20 0.37
PIM2 Q9P1W9 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
SCHEMBL798742 0.88 KDM4C (0.42) RAB9AALDH1A1NPC1TP53SMN1; SMN2
SCHEMBL17439049 0.76 KDM5A (0.48) ALDH1A1KMT2AMEN1KDM4CKDM6B
SCHEMBL17438513 0.75 KDM5A (0.47) ALDH1A1KMT2AMEN1KDM4CKDM6B
SCHEMBL4673791 0.75 KDM4E (0.58) ALDH1A1KMT2AMEN1KDM4CKDM6B
SCHEMBL12516911 0.75 KDM4C (0.53) ALDH1A1KMT2AMEN1KDM4CKDM6B
SCHEMBL7224946 0.74 KDM5A (0.43) ALDH1A1KMT2AKDM4CKDM6BKDM5A
SCHEMBL13162018 0.73 SIRT3 (0.56) SMN1; SMN2KMT2AKDM4CKDM6BKDM5A
SCHEMBL30138224 0.73 SIRT3 (0.56) SMN1; SMN2KMT2AKDM4CKDM6BKDM5A
SCHEMBL20053816 0.72 KDM4C (0.48) RAB9AALDH1A1NPC1TP53SMN1; SMN2
SCHEMBL14917464 0.72 KDM4E (0.46) ALDH1A1KMT2AMEN1KDM4CKDM6B

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-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 EP disclosed