SCHEMBL28866698

SCHEMBL28866698

C1=CC2=NC1=CC1=NC(=CC3=NC(=CC4=NC(=C2)C=C4)C=C3)C=C1.CN(C)c1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 1/20 0.59
▸ CHKA P35790 1/20 0.59
▸ MAPT P10636 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALOX15 P16050 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HBB P68871 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.32
▸ GFER P55789 1/20 0.32
▸ MPO P05164 1/20 0.31
▸ AURKA O14965 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 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
Trimethylammonium SCHEMBL27867572 0.77 — —
SCHEMBL189 0.77 — —
SCHEMBL8664726 0.77 CHRM5 (1.00) CHRM5CHKAMAPTSMN1; SMN2ALOX15
Bromide SCHEMBL1542160 0.75 CHRM5 (0.94) CHRM5CHKAMAPTSMN1; SMN2ALOX15
SCHEMBL320245 0.75 CHRM5 (0.94) CHRM5CHKAMAPTSMN1; SMN2ALOX15
Phosphine SCHEMBL23270013 0.75 CHRM5 (0.94) CHRM5CHKAMAPTSMN1; SMN2ALOX15
Ammonia Solution, Strong SCHEMBL5165150 0.75 CHRM5 (0.94) CHRM5CHKAMAPTSMN1; SMN2ALOX15
SCHEMBL10874328 0.75 CHRM5 (0.94) CHRM5CHKAMAPTSMN1; SMN2ALOX15
SCHEMBL11818290 0.75 CHRM5 (0.94) CHRM5CHKAMAPTSMN1; SMN2ALOX15
Hydrochloric Acid SCHEMBL591273 0.75 CHRM5 (0.94) CHRM5CHKAMAPTSMN1; SMN2ALOX15

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
CN-108904804-A A kind of covalent organic polymer of fluorination and its preparation method and application loading perfluorocarbon 苏州大学 2018-11-30 — — CN claimed
CN-108904804-A A kind of covalent organic polymer of fluorination and its preparation method and application loading perfluorocarbon 苏州大学 2018-11-30 — — CN disclosed
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