SCHEMBL10057528

SCHEMBL10057528

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)n3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.53
CCR5 P51681 3/20 0.53
CCR8 P51685 3/20 0.53
KDM4E B2RXH2 7/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
LMNA P02545 5/20 0.52
TP53 P04637 5/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALOX15 P16050 2/20 0.52
HTT P42858 2/20 0.52
ALPL P05186 1/20 0.52
HSP90AA1 P07900 1/20 0.52
ALPI P09923 1/20 0.52
ALPG P10696 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
MAPT P10636 3/20 0.51

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
SCHEMBL20010226 1.00 CCR1 (0.53) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL30624381 1.00 CCR1 (0.53) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL18334133 1.00 CCR1 (0.53) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL18334132 1.00 CCR1 (0.53) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL25884926 1.00 CCR1 (0.53) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL9958731 0.97 CCR1 (0.50) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL18327607 0.97 CCR1 (0.50) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL18679993 0.97 CCR1 (0.50) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL20010114 0.95 KDM4E (0.52) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL20009944 0.95 KDM4E (0.52) CCR1CCR5CCR8KDM4ESMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130264560-A1 TRIAZINE DERIVATIVES FOR ELECTRONIC APPLICATIONS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-10 US disclosed
US-20130264560-A1 TRIAZINE DERIVATIVES FOR ELECTRONIC APPLICATIONS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-10 US disclosed
US-20130264561-A1 ELECTROACTIVE COMPOSITIONS FOR ELECTRONIC APPLICATIONS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-10 US disclosed
US-20130264561-A1 ELECTROACTIVE COMPOSITIONS FOR ELECTRONIC APPLICATIONS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-10 US disclosed
WO-2012087960-A1 TRIAZINE DERIVATIVES FOR ELECTRONIC APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
WO-2012087961-A2 ELECTROACTIVE COMPOSITIONS FOR ELECTRONIC APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed