SCHEMBL9171950

SCHEMBL9171950

Nc1c2c(nc3cc(C(F)(F)F)ccc13)CCSC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.46
▸ PARP1 P09874 2/20 0.46
▸ TNKS2 Q9H2K2 2/20 0.46
▸ PARP2 Q9UGN5 2/20 0.46
▸ WNT3A P56704 1/20 0.46
▸ PARP14 Q460N5 1/20 0.46
▸ PARP4 Q9UKK3 1/20 0.46
▸ AXIN2 Q9Y2T1 1/20 0.46
▸ PARP3 Q9Y6F1 1/20 0.46
▸ ACHE P22303 14/20 0.45
▸ BCHE P06276 9/20 0.43
▸ CHRM1 P11229 2/20 0.43
▸ EPHX2 P34913 2/20 0.43
▸ GRIN1 Q05586 6/20 0.41
▸ GRIN2A Q12879 6/20 0.41
▸ KDM4E B2RXH2 1/20 0.37
▸ CACNB4 O00305 1/20 0.37
▸ CACNA1A O00555 1/20 0.37
▸ SLC22A2 O15244 1/20 0.37
▸ SLC22A1 O15245 1/20 0.37

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
SCHEMBL9163178 0.90 TNKS (0.46) TNKSPARP1TNKS2PARP2WNT3A
SCHEMBL9171949 0.88 ACHE (0.42) TNKSPARP1TNKS2PARP2ACHE
SCHEMBL9164979 0.83 ACHE (0.66) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL9172294 0.80 ACHE (0.66) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL4502500 0.76 ACHE (0.62) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL9167545 0.76 ACHE (0.44) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL10652434 0.75 TNKS (0.47) TNKSPARP1TNKS2PARP2WNT3A
SCHEMBL10655404 0.73 ACHE (0.45) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL10351570 0.72 ACHE (0.46) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL10653389 0.72 ACHE (0.66) ACHEBCHECHRM1EPHX2GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112830-A Cognition Activators HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-05-12 — — US claimed
US-5389629-A Increase cholinergic function HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-02-14 — — US disclosed
EP-0287977-B1 Fused heteroalkylene quinolinamines, a process and intermediates for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1994-06-29 — — EP disclosed
US-5208330-A Cognition activators HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-05-04 — — US disclosed
US-5206387-A Chemical intermediates for memory enhancing drugs HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-04-27 — — US disclosed
US-5112830-A Cognition Activators HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-05-12 — — US disclosed
US-5002955-A Pyrroloquinolines for enhancement of memory HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-03-26 — — US disclosed
US-4843079-A ALZHEIMER*S DISEASE HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-06-27 — — US disclosed
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