SCHEMBL2490713

SCHEMBL2490713

Nc1cc(=O)[nH]c2ncnn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 4/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 5/20 0.43
SIRT5 Q9NXA8 1/20 0.43
TP53 P04637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 3/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CHEK1 O14757 2/20 0.33
AURKA O14965 2/20 0.33
DAPK3 O43293 2/20 0.33
JAK2 O60674 2/20 0.33

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
SCHEMBL17034262 0.74 TSHR (0.55) TSHRTDP1HPGDPOLBMEN1
SCHEMBL13760597 0.67 XDH (0.41) TSHRTDP1HPGDPOLBMEN1
SCHEMBL5459565 0.67 ALDH1A1 (0.37) TSHRTDP1HPGDPOLBMEN1
SCHEMBL5461696 0.66 NPC1 (0.56) TSHRHPGDKMT2ALMNAALDH1A1
SCHEMBL20074180 0.63 TSHR (0.45) TSHRTDP1HPGDPOLBMEN1
SCHEMBL31677033 0.61 TSHR (0.36) TSHRTDP1HPGDPOLBMEN1
SCHEMBL20074182 0.61 ALDH1A1 (0.47) TSHRTDP1HPGDPOLBMEN1
SCHEMBL20074201 0.60 CDC7 (0.40) TDP1HPGDLMNAPKMALDH1A1
SCHEMBL20074186 0.59 KIT (0.41) HPGDLMNAPKMALDH1A1KDM4E
SCHEMBL20074296 0.59 CHEK1 (0.42) TSHRHPGDPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022189189-A1 TRICYCLIC PESTICIDAL COMPOUNDS BASF SE (DE) 2022-09-15 WO disclosed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed