SCHEMBL7532784

SCHEMBL7532784

CN(C)CCOc1cccc2nc3cc4ccccc4cc3c(C(=O)O)c12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.48
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 6/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
POLR1A O95602 1/20 0.42
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
HRH1 P35367 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
CYBB P04839 1/20 0.40
NCF1 P14598 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL7535163 0.89 POLR1A (0.49) HTR1BALDH1A1KDM4ESMN1; SMN2POLR1A
SCHEMBL7532790 0.78 TACR3 (0.47) HTR1BALDH1A1KDM4EPOLR1ALMNA
SCHEMBL6696696 0.73 LTB4R (0.44) ALDH1A1KDM4ELMNA
SCHEMBL9393731 0.70 MAOB (0.46) ALDH1A1KDM4ELMNAESR1
SCHEMBL4188279 0.70 RAB9A (0.42) ALDH1A1KDM4ESMN1; SMN2LMNANCF1
SCHEMBL9330222 0.70 CYP2C19 (0.58) ALDH1A1KDM4ELMNAESR1
Hydrochloric Acid SCHEMBL7533241 0.70 MAOB (0.45) ALDH1A1KDM4ESMN1; SMN2ESR1
SCHEMBL9429117 0.70 TOP2A (0.43) ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL24363827 0.69 PTPN1 (0.55) HTR1BALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL7533878 0.69 POLR1A (0.46) HTR1BALDH1A1KDM4EPOLR1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0617288-B1 Long emission wavelength chemiluminescent compounds and their use in test assays NOVARTIS AG (CH) 2002-05-02 EP disclosed
US-5395752-A Detecting emission signals of conjugates of angular or linear four ring or three ring acridinium compounds CIBA CORNING DIAGNOSTICS CORP. (US) 1995-03-07 US disclosed
WO-1994021823-A1 LONG EMISSION WAVELENGTH CHEMILUMINESCENT COMPOUNDS AND THEIR USE IN TEST ASSAYS CIBA CORNING DIAGNOSTICS CORP. (US) 1994-09-29 WO disclosed
EP-0617288-A2 Long emission wavelength chemiluminescent compounds and their use in test assays CIBA-GEIGY AG (CH) 1994-09-28 EP disclosed