SCHEMBL7979483

SCHEMBL7979483

NC(=O)N(CCCO)Cc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
MAPT P10636 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
BLM P54132 1/20 0.41
NFKB1 P19838 1/20 0.41
HSD17B10 Q99714 1/20 0.41
USP2 O75604 2/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39

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
SCHEMBL7979481 0.84 HDAC1 (0.42) CYP2C9CYP2C19LMNATSHRCYP1A2
SCHEMBL3900020 0.83 HDAC1 (0.53) LMNATSHRMEN1KMT2AHDAC1
SCHEMBL4115688 0.78 USP2 (0.57) CYP2C9CYP2C19LMNATSHRCYP1A2
SCHEMBL194060 0.76 NTRK2 (0.36)
SCHEMBL1336193 0.76 CYP2C9 (0.48) CYP2C9CYP2C19LMNATSHRCYP1A2
Hydrochloric Acid SCHEMBL1335634 0.75 CYP2C9 (0.47) CYP2C9CYP2C19LMNATSHRCYP1A2
SCHEMBL28741972 0.73 L3MBTL1 (0.54) LMNATSHRCYP3A4MEN1KMT2A
SCHEMBL2843504 0.72 NTRK2 (0.34)
SCHEMBL11317847 0.72 NTRK2 (0.38) HDAC1HDAC6
SCHEMBL4207867 0.70 HDAC1 (0.57) LMNATSHRMEN1KMT2AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed