SCHEMBL13683140

SCHEMBL13683140

CCn1nc(C(F)(F)F)c(NC(C)=O)c1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ SLC2A1 P11166 9/20 0.40
▸ SLC2A3 P11169 9/20 0.40
▸ SLC2A4 P14672 8/20 0.40
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SLC2A2 P11168 3/20 0.38
▸ NLRP3 Q96P20 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ MAPT P10636 1/20 0.36

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
SCHEMBL13683148 0.80 GAA (0.44) CCR1KDM4ERECQLLMNASMN1; SMN2
SCHEMBL15334767 0.71 KDM4E (0.37) KDM4ERECQLNLRP3MAPT
SCHEMBL23090407 0.70 DHODH (0.49) CCR1SLC2A1SLC2A3SLC2A4LMNA
SCHEMBL13184171 0.70 KDM4E (0.36) CCR1KDM4ERECQLNLRP3MAPT
SCHEMBL1008520 0.69 MAPT (0.64) LMNASMN1; SMN2MAPT
SCHEMBL8323814 0.68 KDM4E (0.39) KDM4ERECQLSLC2A1LMNANLRP3
SCHEMBL13754852 0.68 KDM4E (0.36) KDM4ERECQLLMNASMN1; SMN2NLRP3
SCHEMBL17066930 0.68 MAPT (0.47) CCR1KDM4ERECQLLMNASMN1; SMN2
SCHEMBL13748687 0.67 KDM4E (0.35) KDM4ERECQL
SCHEMBL8324291 0.66 SMN1; SMN2 (0.38) CCR1KDM4ERECQLLMNASMN1; SMN2

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-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 — — US disclosed
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