SCHEMBL7979481

SCHEMBL7979481

[NH]C(=O)N(CCCO)Cc1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
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

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
SCHEMBL7979483 0.84 CYP2C9 (0.41) HDAC1HDAC6CYP2C9CYP2C19LMNA
SCHEMBL1336193 0.76 CYP2C9 (0.48) HDAC1HDAC6CYP2C9CYP2C19LMNA
Hydrochloric Acid SCHEMBL1335634 0.75 CYP2C9 (0.47) HDAC1HDAC6CYP2C9CYP2C19LMNA
SCHEMBL10002584 0.72 NTRK2 (0.40) NTRK2
SCHEMBL4207867 0.70 HDAC1 (0.57) HDAC1HDAC6LMNATSHRMEN1
SCHEMBL2187701 0.70 PDK1 (0.46) HDAC1HDAC6CYP2C9CYP2C19LMNA
SCHEMBL279761 0.68 HRH1 (0.56) CYP2C9CYP2C19CYP1A2CYP3A4HSD17B10
SCHEMBL29833901 0.68 USP2 (0.48) HDAC1HDAC6CYP2C9CYP2C19LMNA
SCHEMBL2755872 0.67 USP2 (0.60) CYP2C9CYP2C19LMNATSHRCYP1A2
SCHEMBL2187957 0.67 PDK1 (0.44) HDAC1HDAC6CYP2C9CYP2C19LMNA

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