SCHEMBL13923943

SCHEMBL13923943

O=C(N[C@@H]1C[C@@H]2C[C@H]1CN2)c1n[nH]c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ DYRK1A Q13627 12/20 0.41
▸ WNT1 P04628 7/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ CLK3 P49761 1/20 0.41
▸ GSK3B P49841 8/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL13923945 1.00 CHRNA7 (0.41) CHRNA7HTR3ADYRK1AWNT1CLK2
SCHEMBL13923944 1.00 CHRNA7 (0.41) CHRNA7HTR3ADYRK1AWNT1CLK2
SCHEMBL2087360 0.81 GSK3B (0.45) CHRNA7HTR3ADYRK1AWNT1GSK3B
SCHEMBL2087347 0.81 GSK3B (0.45) CHRNA7HTR3ADYRK1AWNT1GSK3B
SCHEMBL2088971 0.81 GSK3B (0.45) CHRNA7HTR3ADYRK1AWNT1GSK3B
SCHEMBL2086463 0.80 CHRNA7 (0.61) CHRNA7HTR3AKDM4EGAAKMT2A
Hydrochloric Acid SCHEMBL2085876 0.79 CHRNA7 (0.60) CHRNA7HTR3AKDM4EGAAKMT2A
SCHEMBL1458602 0.79 CHRNA7 (0.66) CHRNA7HTR3ADYRK1AWNT1GSK3B
SCHEMBL29749352 0.79 CHRNA7 (0.66) CHRNA7HTR3ADYRK1AWNT1GSK3B
SCHEMBL1459315 0.79 CHRNA7 (0.66) CHRNA7HTR3ADYRK1AWNT1GSK3B

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
US-7488737-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION (US) 2009-02-10 — — US disclosed
US-7488737-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION (US) 2009-02-10 — — US disclosed
Send feedback