SCHEMBL11231986

SCHEMBL11231986

CCCCCCC1=Nc2cccnc2N(C(=O)c2ccccc2)N1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.35
▸ CES1 P23141 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NAAA Q02083 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ RARB P10826 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
Hydrochloric Acid SCHEMBL11248129 0.99 CES2 (0.34) CES2CES1ALDH1A1NAAALMNA
SCHEMBL11243388 0.91 LMNA (0.43) ALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL11243669 0.90 LMNA (0.42) ALDH1A1LMNAHTT
SCHEMBL11244408 0.85 CHRM2 (0.35) KDM4EHTTCHRM2
Hydrochloric Acid SCHEMBL11241242 0.84 CHRM2 (0.34) KDM4EHTTCHRM2
Hydrochloric Acid SCHEMBL11236146 0.84 CHRM2 (0.34) KDM4EHTTCHRM2
Hydrochloric Acid SCHEMBL11234187 0.84 CHRM2 (0.34) KDM4EHTTCHRM2
Hydrochloric Acid SCHEMBL11248592 0.84 CCNE1 (0.39) ALDH1A1CNR1CNR2CHRM2
Hydrochloric Acid SCHEMBL11247205 0.83 RAB9A (0.36) ALDH1A1KDM4ECHRM2
Hydrochloric Acid SCHEMBL11247887 0.82 EGFR (0.39) ALDH1A1LMNAKDM4E

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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