SCHEMBL5145918

SCHEMBL5145918

C1=CN(c2ccccn2)CN=C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.43
KDM4E B2RXH2 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.39
CRBN Q96SW2 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.37
ADRB2 P07550 1/20 0.37

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
SCHEMBL28162655 0.77 SORD (0.38)
Hydrochloric Acid SCHEMBL18281397 0.76 KDM4E (0.34) KDM4EPOLBALDH1A1USP2
SCHEMBL28757072 0.75
SCHEMBL2362320 0.73 MAPT (0.35) KDM4ESMN1; SMN2RAB9AALDH1A1MEN1
SCHEMBL30565007 0.73 PLD1 (0.44) PLD1KDM4ESMN1; SMN2POLBCRBN
SCHEMBL2096767 0.73 PLD1 (0.44) PLD1KDM4ESMN1; SMN2POLBCRBN
SCHEMBL1140766 0.72 PLD1 (0.47) PLD1KDM4ESMN1; SMN2POLBCRBN
SCHEMBL3390519 0.71 PLD1 (0.40) PLD1KDM4ESMN1; SMN2POLBCRBN
Hydrochloric Acid SCHEMBL28436322 0.71 PLD1 (0.43) PLD1KDM4ESMN1; SMN2POLBCRBN
SCHEMBL27476055 0.71 HRH3 (0.47)

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-7307171-B2 Materials and methods for inhibiting fouling of surfaces exposed to aquatic environments UNIVERSITY OF FLORIDA (US) 2007-12-11 US disclosed
US-7087106-B2 Materials and methods for inhibiting fouling of surfaces exposed to aquatic environments UNIVERSITY OF FLORIDA (US) 2006-08-08 US disclosed
US-20050159454-A1 Materials and methods for inhibiting fouling of surfaces exposed to aquatic environments KEM WILLIAM R (US) 2005-07-21 US disclosed
WO-2005023942-A2 MATERIALS AND METHODS FOR INHIBITING FOULING OF SURFACES EXPOSED TO AQUATIC ENVIRONMENTS UNIVERSITY OF FLORIDA (US) 2005-03-17 WO disclosed
US-20040235901-A1 Materials and methods for inhibiting fouling of surfaces exposed to aquatic environments DUKE UNIVERSITY 2004-11-25 US disclosed
WO-2003027100-A1 SUBSTITUTED 3-PYRIDYL PYRIMIDINES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed