SCHEMBL3690177

SCHEMBL3690177

Cc1c(C)c(N=CCc2cccc(-c3ccccn3)n2)c(C)c(C)c1N=CCc1cccc(-c2ccccn2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
CCR1 P32246 3/20 0.46
CCR5 P51681 3/20 0.46
CCR8 P51685 3/20 0.46
TP53 P04637 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALOX15 P16050 2/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALPL P05186 1/20 0.46
HSP90AA1 P07900 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
MAPK1 P28482 1/20 0.46
PDE10A Q9Y233 3/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39

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
Hydrochloric Acid SCHEMBL3687301 0.99 KDM4E (0.45) KDM4ESMN1; SMN2LMNACCR1CCR5
Bromide SCHEMBL3163536 0.97 KDM4E (0.44) KDM4ESMN1; SMN2LMNACCR1CCR5
Bromide SCHEMBL3166431 0.97 KDM4E (0.44) KDM4ESMN1; SMN2LMNACCR1CCR5
Hydrochloric Acid SCHEMBL3165680 0.97 KDM4E (0.44) KDM4ESMN1; SMN2LMNACCR1CCR5
Hydrochloric Acid SCHEMBL3167248 0.97 KDM4E (0.44) KDM4ESMN1; SMN2LMNACCR1CCR5
Bromide SCHEMBL3692550 0.85 KDM4E (0.40) KDM4ESMN1; SMN2LMNACCR1CCR5
Hydrochloric Acid SCHEMBL3698089 0.85 KDM4E (0.40) KDM4ESMN1; SMN2LMNACCR1CCR5
Bromide SCHEMBL3692255 0.85 KDM4E (0.40) KDM4ESMN1; SMN2LMNACCR1CCR5
Hydrochloric Acid SCHEMBL3691622 0.85 KDM4E (0.40) KDM4ESMN1; SMN2LMNACCR1CCR5
SCHEMBL8172159 0.84 KDM4E (0.41) KDM4ESMN1; SMN2LMNACCR1CCR5

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
US-7741240-B2 Transition metal compounds for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-06-22 US disclosed
US-20080033125-A1 Transition Metal Compounds for Olefin Polymerization and Oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2008-02-07 US disclosed