SCHEMBL9957170

SCHEMBL9957170

c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5cncnc5)c4)n3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 4/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
CYP19A1 P11511 1/20 0.46
GLA P06280 1/20 0.45
KAT6A Q92794 1/20 0.44
NTSR1 P30989 1/20 0.43
KMO O15229 2/20 0.42
CYP2A6 P11509 1/20 0.41
GP6 Q9HCN6 1/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL15298544 1.00 ATM (0.59) ATMMEN1KMT2AALDH1A1HPGD
SCHEMBL15298547 1.00 ATM (0.59) ATMMEN1KMT2AALDH1A1HPGD
SCHEMBL15298546 1.00 ATM (0.59) ATMMEN1KMT2AALDH1A1HPGD
SCHEMBL10071701 1.00 ATM (0.59) ATMMEN1KMT2AALDH1A1HPGD
SCHEMBL15298545 0.98 ATM (0.57) ATMMEN1KMT2AALDH1A1HPGD
SCHEMBL15298555 0.95 ATM (0.57) ATMMEN1KMT2AALDH1A1HPGD
SCHEMBL10071112 0.95 ATM (0.57) ATMMEN1KMT2AALDH1A1HPGD
SCHEMBL15298548 0.95 ATM (0.57) ATMMEN1KMT2AALDH1A1HPGD
SCHEMBL10070681 0.95 ATM (0.61) ATMMEN1KMT2AALDH1A1HPGD
SCHEMBL15298543 0.95 MEN1 (0.49) ATMMEN1KMT2AALDH1A1HPGD

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
EP-2655339-A1 ELECTRONIC DEVICE INCLUDING A PYRIMIDINE COMPOUND E.I. Du Pont De Nemours And Company (US) 2013-10-30 EP disclosed
US-20130256646-A1 ELECTRONIC DEVICE INCLUDING A PYRIMIDINE COMPOUND E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-03 US disclosed
US-20130256646-A1 ELECTRONIC DEVICE INCLUDING A PYRIMIDINE COMPOUND E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-03 US disclosed
US-20130256646-A1 ELECTRONIC DEVICE INCLUDING A PYRIMIDINE COMPOUND E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-03 US disclosed
WO-2012088192-A1 ELECTRONIC DEVICE INCLUDING A PYRIMIDINE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
WO-2012088192-A1 ELECTRONIC DEVICE INCLUDING A PYRIMIDINE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed