SCHEMBL9752206

SCHEMBL9752206

CC[N+](CC)(CC)c1ccccc1.[BH4-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
CHRNB4 P30926 4/20 0.40
CHRNA3 P32297 4/20 0.40
CHRNA7 P36544 4/20 0.40
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
TP53 P04637 1/20 0.39
ACHE P22303 3/20 0.35
TSHR P16473 1/20 0.35
OPRM1 P35372 1/20 0.35
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL124830 0.97 APOBEC3A (0.46) APOBEC3AAPOBEC3GCHRNB4CHRNA3CHRNA7
SCHEMBL28320297 0.94 APOBEC3A (0.43) APOBEC3AAPOBEC3GCHRNB4CHRNA3CHRNA7
Iodide SCHEMBL2353165 0.94 APOBEC3A (0.50) APOBEC3AAPOBEC3GCHRNB4CHRNA3CHRNA7
Ammonia Solution, Strong SCHEMBL27375432 0.94 APOBEC3A (0.43) APOBEC3AAPOBEC3GCHRNB4CHRNA3CHRNA7
Bromide SCHEMBL5088443 0.94 APOBEC3A (0.43) APOBEC3AAPOBEC3GCHRNB4CHRNA3CHRNA7
Water SCHEMBL188046 0.94 APOBEC3A (0.43) APOBEC3AAPOBEC3GCHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL125419 0.94 APOBEC3A (0.43) APOBEC3AAPOBEC3GCHRNB4CHRNA3CHRNA7
Bromide SCHEMBL2708615 0.94 APOBEC3A (0.43) APOBEC3AAPOBEC3GCHRNB4CHRNA3CHRNA7
Bromide SCHEMBL2708617 0.94 APOBEC3A (0.43) APOBEC3AAPOBEC3GCHRNB4CHRNA3CHRNA7
SCHEMBL28320296 0.94 APOBEC3A (0.43) APOBEC3AAPOBEC3GCHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991001391-A1 PRODUCTION OF METAL BOROHYDRIDES AND ORGANIC ONIUM BOROHYDRIDES SOUTHWESTERN ANALYTICAL CHEMICALS, INC. (US) 1991-02-07 WO disclosed
US-4931154-A Production of metal borohydrides and organic onium borohydrides SOUTHWESTERN ANALYTICAL CHEMICALS, INC. (US) 1990-06-05 US disclosed
US-4904357-A Production of quaternary ammonium and quaternary phosphonium borohydrides SOUTHWESTERN ANALYTICAL (US) 1990-02-27 US disclosed