SCHEMBL5159308

SCHEMBL5159308

CCCCN(C(=O)O)c1ncncn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 5/20 0.36
S1PR1 P21453 1/20 0.36
NPC1 O15118 1/20 0.36
JAK2 O60674 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
ELANE P08246 1/20 0.35
KDM6B O15054 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
FAAH O00519 1/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
PDE10A Q9Y233 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PTPN11 Q06124 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL10767534 0.95 NPC1 (0.41) MLYCDS1PR1NPC1JAK2RAB9A
SCHEMBL5157780 0.82 MLYCD (0.33) MLYCDS1PR1ELANEPDE10APTPN11
SCHEMBL16415843 0.76 SMN1; SMN2 (0.41) NPC1RAB9A
SCHEMBL3182836 0.74 HTT (0.41) NPC1RAB9AELANE
SCHEMBL4721367 0.72 LATS1 (0.37) PTPN11
SCHEMBL10715305 0.71 HTT (0.50) NPC1JAK2RAB9APAX8
SCHEMBL4765553 0.71 SMN1; SMN2 (0.39) NPC1RAB9A
SCHEMBL4723666 0.71 CRHR1 (0.42) NPC1RAB9AHPGD
SCHEMBL17580501 0.70 EGFR (0.42) GAAHPGDCA12CA1CA9
SCHEMBL5509028 0.70 POLB (0.55) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740555-B1 RADIATION CURABLE 1,3,5-TRIAZINE CARBAMATES AND 1,3,5-TRIAZINE UREAS CONTAINING VINYL GROUPS, METHACRYLOYL GROUPS, OR ACRYLOYL GROUPS BASF SE (DE) 2012-06-13 EP disclosed
EP-1737834-B1 METHOD FOR PRODUCING 1,3,5-TRIAZINE CARBAMATES AND UREAS BASF AG (DE) 2007-10-03 EP disclosed
EP-1740555-A1 RADIATION CURABLE 1,3,5-TRIAZINE CARBAMATES AND 1,3,5-TRIAZINE UREAS CONTAINING VINYL GROUPS, METHACRYLOYL GROUPS, OR ACRYLOYL GROUPS BASF AKTIENGESELLSCHAFT (DE) 2007-01-10 EP disclosed
WO-2005103016-A1 RADIATION CURABLE 1,3,5-TRIAZINE CARBAMATES AND 1,3,5-TRIAZINE UREAS CONTAINING VINYL GROUPS, METHACRYLOYL GROUPS, OR ACRYLOYL GROUPS BASF AKTIENGESELLSCHAFT (DE) 2005-11-03 WO disclosed