SCHEMBL2460308

SCHEMBL2460308

C1=CCC(c2ccc[nH]2)=C1.C1=CCC(c2ccccn2)=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.38
KDM4E B2RXH2 6/20 0.36
LMNA P02545 3/20 0.36
CCR1 P32246 2/20 0.36
CCR5 P51681 2/20 0.36
CCR8 P51685 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
METAP1 P53582 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36
DOHH Q9BU89 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
NPY5R Q15761 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 3/20 0.33
NISCH Q9Y2I1 1/20 0.33
PRKCI P41743 1/20 0.33
TP53 P04637 3/20 0.33
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL2460160 0.84 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL27448124 0.83 AURKA (0.33) KDM4C
SCHEMBL2466575 0.83 AURKA (0.32) KDM4C
SCHEMBL26486847 0.78 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29529148 0.74 KDM4E (0.54) KDM4CKDM4ELMNACCR1CCR5
SCHEMBL439769 0.74 KDM4E (0.54) KDM4CKDM4ELMNACCR1CCR5
SCHEMBL11159334 0.73 KDM4E (0.58) KDM4CKDM4ELMNACCR1CCR5
SCHEMBL27768754 0.72 KDM4E (0.52) KDM4CKDM4ELMNACCR1CCR5
SCHEMBL6871735 0.69 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28361630 0.69 NPC1 (0.48) KDM4CKDM4ELMNACCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364318-A1 CYCLOMETALATED TRANSITION METAL COMPLEXES FOR MULTIPLEX ANALYTE DETECTION Bio-Rad Laboratories, Inc. (US) 2011-09-14 EP disclosed
WO-2010065514-A1 CYCLOMETALATED TRANSITION METAL COMPLEXES FOR MULTIPLEX ANALYTE DETECTION BIO-RAD LABORATORIES, INC. (US) 2010-06-10 WO disclosed