SCHEMBL8716034

SCHEMBL8716034

CS(=O)(=O)/C(C#N)=C\c1c(Cl)n(Cc2ccccc2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ CYP19A1 P11511 1/20 0.43
▸ PDE9A O76083 1/20 0.43
▸ PDE1C Q14123 1/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ PPME1 Q9Y570 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ APEH P13798 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ P2RX4 Q99571 1/20 0.43
▸ SNCA P37840 2/20 0.42
▸ CCR2 P41597 1/20 0.42
▸ MAPK1 P28482 1/20 0.40
▸ APP P05067 1/20 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
SCHEMBL8716035 1.00 MAPT (0.47) MAPTCYP19A1PDE9APDE1CMEN1
SCHEMBL8715099 0.85 MAPT (0.43) MAPTCYP19A1PDE9APDE1CMEN1
SCHEMBL8716592 0.81 ALDH1A1 (0.46) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL8716590 0.81 ALDH1A1 (0.46) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL8713370 0.78 MAPT (0.66) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL8713366 0.78 MAPT (0.66) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2345535 0.75 KMT2A (0.60) MAPTCYP19A1MEN1KMT2AKDM4E
SCHEMBL8719322 0.75 MAPT (0.46) MAPTCYP19A1MEN1KMT2AKDM4E
SCHEMBL10735414 0.72 CYP19A1 (0.54) MAPTCYP19A1MEN1KMT2AKDM4E
SCHEMBL8717976 0.72 MAPT (0.64) MAPTMEN1KMT2AKDM4ESMN1; SMN2

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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