SCHEMBL16257565

SCHEMBL16257565

COc1c(Nc2cccc(C(F)(F)F)c2)ncnc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.56
ABCG2 Q9UNQ0 2/20 0.56
LMNA P02545 2/20 0.55
MEN1 O00255 1/20 0.55
GMNN O75496 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TTR P02766 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55
NFKB1 P19838 1/20 0.55
UGT1A1 P22309 1/20 0.55
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
PMP22 Q01453 1/20 0.55
DHODH Q02127 1/20 0.55
KMT2A Q03164 1/20 0.55
TEAD4 Q15561 1/20 0.55
HIF1A Q16665 1/20 0.55

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
SCHEMBL14306362 0.85 LMNA (0.58) EGFRABCG2LMNAMEN1GMNN
SCHEMBL16257538 0.81 EGFR (0.61) EGFRABCG2LMNASYKBRAF
SCHEMBL15033667 0.76 LMNA (0.58) EGFRABCG2LMNAMEN1GMNN
SCHEMBL14318457 0.76 TP53 (0.65) EGFRABCG2LMNAMEN1GMNN
SCHEMBL15033805 0.73 SYK (0.58) EGFRLMNAMEN1GMNNALDH1A1
SCHEMBL2100607 0.72 EGFR (1.00) EGFRABCG2LMNAMEN1GMNN
SCHEMBL3918204 0.72 EGFR (0.69) EGFRABCG2LMNAALDH1A1SYK
Niflumic Acid SCHEMBL4886924 0.71 DHODH (1.00) LMNAMEN1GMNNALDH1A1TTR
Niflumic Acid SCHEMBL24706 0.71 DHODH (1.00) LMNAMEN1GMNNALDH1A1TTR
Niflumic Acid SCHEMBL29373503 0.71 DHODH (1.00) LMNAMEN1GMNNALDH1A1TTR

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
US-8946218-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
US-8926915-B2 Smell-diffusing cell array substrate, apparatus for transferring smell information and electronic device including the apparatus SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-01-06 US disclosed
EP-2569295-B1 NEW CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed