SCHEMBL8987952

SCHEMBL8987952

N#CCOc1cc[nH+]cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ FFAR1 O14842 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ CTSA P10619 2/20 0.33
▸ ADORA2A P29274 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ KCNA3 P22001 1/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ PSEN1 P49768 1/20 0.30
▸ PSEN2 P49810 1/20 0.30
▸ APH1B Q8WW43 1/20 0.30
▸ NCSTN Q92542 1/20 0.30
▸ APH1A Q96BI3 1/20 0.30
▸ PSENEN Q9NZ42 1/20 0.30
▸ SYK P43405 1/20 0.30

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
SCHEMBL30753819 0.76 KCNA3 (0.50) SMN1; SMN2FFAR1MAOBKCNA3KCNH2
SCHEMBL30753820 0.76 KCNA3 (0.50) SMN1; SMN2FFAR1MAOBKCNA3KCNH2
SCHEMBL180023 0.76 KCNA3 (0.50) SMN1; SMN2FFAR1MAOBKCNA3KCNH2
Isonicotinonitrile SCHEMBL8987889 0.75 TSHR (0.50) MAOBMAOA
SCHEMBL9782182 0.73 MAOB (0.46) SMN1; SMN2MAOBCTSAADORA2AMAOA
SCHEMBL5147299 0.70 LTA4H (0.55) SMN1; SMN2MAOBMAOAKCNA3
Pyridine SCHEMBL7214643 0.68 ALDH1A1 (0.35) —
Pyridine SCHEMBL2376942 0.68 ALDH1A1 (0.35) —
SCHEMBL1436935 0.67 MAOB (0.70) SMN1; SMN2MAOBMAOA
SCHEMBL9450788 0.67 LTA4H (0.55) MAOB

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-0719293-A1 LATENT, THERMAL CURE ACCELERATORS FOR EPOXY-AROMATIC AMINE RESINS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-07-03 — — EP disclosed
WO-1995005411-A2 LATENT, THERMAL CURE ACCELERATORS FOR EPOXY-AROMATIC AMINE RESINS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-02-23 — — WO disclosed
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