SCHEMBL11843282

SCHEMBL11843282

O=C1c2ccccc2C2NC=CN12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ PDE6D O43924 5/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL9202042 0.64 ALDH1A1 (0.41) HTR2AHTR2CHTR2BALDH1A1LMNA
SCHEMBL18153203 0.64 HTR2A (0.44) HTR2AHTR2CHTR2BALDH1A1LMNA
SCHEMBL11717879 0.63 HTR2C (0.58) HTR2AHTR2CHTR2BALDH1A1GAA
SCHEMBL15265044 0.62 ALDH1A1 (0.56) HTR2AHTR2CHTR2BALDH1A1LMNA
Hydrochloric Acid SCHEMBL11716040 0.62 HTR2C (0.56) HTR2AHTR2CHTR2BALDH1A1GAA
SCHEMBL17076613 0.62 ALDH1A1 (0.33) HTR2AHTR2CHTR2BALDH1A1LMNA
SCHEMBL13704044 0.62 GPR3 (0.60) HTR2AHTR2CHTR2BALDH1A1LMNA
SCHEMBL28491293 0.62 ALDH1A1 (0.39) HTR2AHTR2CHTR2BALDH1A1LMNA
SCHEMBL22792110 0.62 GPR3 (0.60) HTR2AHTR2CHTR2BALDH1A1LMNA
SCHEMBL13704120 0.62 GPR3 (0.60) HTR2AHTR2CHTR2BALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3994920-A APPETITE SUPPRESSANT, ANTIDEPRESSANT AMERICAN HOME PRODUCTS CORPORATION (US) 1976-11-30 — — US disclosed
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