SCHEMBL11243388

SCHEMBL11243388

CCCCCCC1=Nc2cccnc2N(C(=O)c2cccnc2)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.43
▸ MAPT P10636 3/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HRH2 P25021 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TRPV1 Q8NER1 4/20 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
Hydrochloric Acid SCHEMBL11243669 0.99 LMNA (0.42) LMNAMAPTNFKB1NFKB2RELA
SCHEMBL11231986 0.91 CES2 (0.35) LMNAALDH1A1HTT
Hydrochloric Acid SCHEMBL11248129 0.90 CES2 (0.34) LMNAALDH1A1HTT
SCHEMBL11244408 0.83 CHRM2 (0.35) HTT
Hydrochloric Acid SCHEMBL11236146 0.82 CHRM2 (0.34) HTT
Hydrochloric Acid SCHEMBL11234187 0.82 CHRM2 (0.34) HTT
Hydrochloric Acid SCHEMBL11241242 0.82 CHRM2 (0.34) HTT
Hydrochloric Acid SCHEMBL11247205 0.80 RAB9A (0.36) NPC1ALDH1A1
Hydrochloric Acid SCHEMBL11248592 0.78 CCNE1 (0.39) HRH2HRH1TRPV1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL11247887 0.75 EGFR (0.39) LMNAMAPTNPC1POLBSMN1; SMN2

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-4320127-A Pyrido[3,2-e]-as-triazines EDYT GYOGYSZERVEGYESZETI GYAR (HU) 1982-03-16 — — US claimed
US-4320127-A Pyrido[3,2-e]-as-triazines EDYT GYOGYSZERVEGYESZETI GYAR (HU) 1982-03-16 — — US disclosed
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