SCHEMBL7769482

SCHEMBL7769482

[NH]C(=O)Cc1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NAPRT Q6XQN6 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB5 P28074 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL5094342 0.79 P2RX7 (0.41) P2RX7KDM4EMAPTCYP1A2CES2
SCHEMBL874090 0.77 CYP1A2 (0.50) P2RX7KDM4EMAPTCYP1A2LMNA
SCHEMBL8539040 0.75 P2RX7 (0.38) P2RX7KDM4EMAPTCYP1A2CES2
SCHEMBL1719924 0.75 LMNA (0.47) P2RX7KDM4EMAPTCYP1A2CES2
SCHEMBL77616 0.75 HTT (0.48) P2RX7KDM4EMAPTCYP1A2CES2
Hydrochloric Acid SCHEMBL6645397 0.75 KDM4E (0.48) P2RX7KDM4EMAPTCYP1A2LMNA
SCHEMBL1258953 0.73 RAB9A (0.54) CYP1A2SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL536418 0.70 P2RX7 (0.35) P2RX7KDM4EMAPTCYP1A2LMNA
SCHEMBL13564586 0.70 LMNA (0.33) KDM4ELMNAHTTALDH1A1
SCHEMBL1483489 0.70 HTT (0.42) P2RX7LMNAGAAHTTPSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP disclosed