SCHEMBL8715099

SCHEMBL8715099

CSc1c(C=C(C#N)S(C)(=O)=O)c2ccccc2n1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ PLA2G2A P14555 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ PDE9A O76083 1/20 0.41
▸ PDE1C Q14123 1/20 0.41
▸ APEH P13798 1/20 0.41
▸ PPME1 Q9Y570 1/20 0.41
▸ CYP19A1 P11511 1/20 0.40
▸ P2RX4 Q99571 1/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ SNCA P37840 2/20 0.40
▸ APP P05067 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ POLB P06746 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
SCHEMBL8716035 0.85 MAPT (0.47) MAPTSMN1; SMN2PDE9APDE1CAPEH
SCHEMBL8716034 0.85 MAPT (0.47) MAPTSMN1; SMN2PDE9APDE1CAPEH
SCHEMBL8717597 0.78 LMNA (0.54) MAPTPLA2G2ASMN1; SMN2CYP19A1P2RX4
SCHEMBL8716590 0.71 ALDH1A1 (0.46) MAPTSMN1; SMN2APEHPPME1MEN1
SCHEMBL8716592 0.71 ALDH1A1 (0.46) MAPTSMN1; SMN2APEHPPME1MEN1
SCHEMBL11560494 0.66 PPME1 (0.55) MAPTSMN1; SMN2APEHPPME1MEN1
SCHEMBL11560496 0.66 PPME1 (0.55) MAPTSMN1; SMN2APEHPPME1MEN1
SCHEMBL8713370 0.65 MAPT (0.66) MAPTSMN1; SMN2MEN1KMT2ASNCA
SCHEMBL399996 0.65 HTT (0.80) MAPTSMN1; SMN2MEN1KMT2ASNCA
SCHEMBL8713366 0.65 MAPT (0.66) MAPTSMN1; SMN2MEN1KMT2ASNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0843660-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-05-27 — — EP claimed
WO-1997005109-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-02-13 — — WO claimed
US-5783575-A CENTRAL NERVOUS SYSTEM DISORDERS NOVO NORDISK A/S (DK) 1998-07-21 — — US disclosed
EP-0843660-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-05-27 — — EP disclosed
US-5696148-A POTENT ANTAGONIST OF METABOTROPIC GLUTAMATE RECEPTORS; TREATING EPILEPSY, PARKINSON'S DISEASE, HUNTINGTON'S DISEASE, BRAIN DISORDER AND ALZHEIMER'S DISEASE NOVO NORDISK A/S (DK) 1997-12-09 — — US disclosed
WO-1997005109-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-02-13 — — WO disclosed
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