SCHEMBL3626533

SCHEMBL3626533

CC1Nc2ccccc2C1N

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 9/20 0.39
NOS2 P35228 1/20 0.37
CREBBP Q92793 2/20 0.35
BRPF1 P55201 1/20 0.35
IDO1 P14902 1/20 0.34
PBRM1 Q86U86 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
ABCB1 P08183 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 2/20 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
SCHEMBL7571631 0.77 HTR5A (0.41) HTR5ANOS2CREBBPBRPF1IDO1
SCHEMBL172934 0.77 HTR5A (0.41) HTR5ANOS2CREBBPBRPF1IDO1
SCHEMBL18324162 0.77 HTR5A (0.41) HTR5ANOS2CREBBPBRPF1IDO1
SCHEMBL18269674 0.77 HTR5A (0.41) HTR5ANOS2CREBBPBRPF1IDO1
SCHEMBL18271939 0.77 HTR5A (0.41) HTR5ANOS2CREBBPBRPF1IDO1
SCHEMBL29501187 0.77 HTR5A (0.41) HTR5ANOS2CREBBPBRPF1IDO1
SCHEMBL19308765 0.77 HTR5A (0.41) HTR5ANOS2CREBBPBRPF1IDO1
SCHEMBL7571638 0.77 HTR5A (0.41) HTR5ANOS2CREBBPBRPF1IDO1
SCHEMBL18324164 0.77 HTR5A (0.41) HTR5ANOS2CREBBPBRPF1IDO1
SCHEMBL30570964 0.73 CREBBP (0.50) HTR5ANOS2CREBBPBRPF1IDO1

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
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO disclosed