SCHEMBL7831361

SCHEMBL7831361

CNS(=O)(=O)c1cc(C(=O)Cl)c2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ TSHR P16473 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ NQO2 P16083 1/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38

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
SCHEMBL7831310 0.87 L3MBTL1 (0.53) L3MBTL1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL7837993 0.84 KDM4E (0.50) L3MBTL1TSHRMEN1KMT2ACA1
SCHEMBL11185952 0.72 VCAM1 (0.54) L3MBTL1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL396042 0.71 L3MBTL1 (0.46) L3MBTL1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL5127180 0.71 L3MBTL1 (0.46) L3MBTL1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL22747378 0.71 CA12 (0.49) L3MBTL1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL2154152 0.71 ALDH1A1 (0.44) L3MBTL1MEN1KMT2APLK1KDM4E
SCHEMBL3914053 0.71 CDC25B (0.60) MEN1KMT2APLK1NQO2KDM4E
SCHEMBL21822221 0.71 ALDH1A1 (0.51) TSHRMEN1KMT2ACA1CA2
SCHEMBL9568593 0.70 L3MBTL1 (0.48) L3MBTL1TSHRSMN1; SMN2MEN1KMT2A

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-1097137-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-05-09 — — EP disclosed
WO-2000002859-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-01-20 — — WO disclosed
Send feedback