SCHEMBL1746137

SCHEMBL1746137

CSc1nc(-c2ccccc2)nc2c1C(=O)N(C(=O)O)CC2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
HPGD P15428 2/20 0.46
TP53 P04637 2/20 0.46
USP2 O75604 1/20 0.45
POLB P06746 3/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.37
MAPT P10636 3/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
F2 P00734 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADK P55263 1/20 0.36
PDE4B Q07343 1/20 0.35

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
SCHEMBL1746587 0.70 PDE4B (0.39) TSHRHPGDTP53POLBLMNA
SCHEMBL1746476 0.69 AKT1 (0.37) LMNAALDH1A1CYP1A2CYP2C9PDE4B
SCHEMBL28227385 0.64 TSHR (0.71) TSHRHPGDTP53USP2POLB
SCHEMBL28948723 0.63 CCNA2 (0.41) KMT2AMEN1
SCHEMBL1747649 0.63 POLB (0.39) POLBLMNAKMT2AMEN1ALDH1A1
SCHEMBL3118565 0.62 MTHFD2 (0.50) TSHR
SCHEMBL8805074 0.62 HTR2A (0.35) KMT2AMEN1
SCHEMBL3258197 0.61 TSHR (0.80) TSHRHPGDTP53USP2POLB
SCHEMBL31156495 0.59 TSHR (0.51) TSHRHPGDTP53USP2POLB
SCHEMBL13423652 0.59 GRM5 (0.36) TSHRHPGDKMT2AALDH1A1MAPT

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-2380890-A1 New 7,8-dihydro-1,6-naphthyridin-5(6h)-one-derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-10-26 EP disclosed
US-20110253549-A1 WASHING APPARATUS AND METHOD OF DEODORIZING WASHING WATER KANNO MINORU 2011-10-20 US disclosed