SCHEMBL9835348

SCHEMBL9835348

COc1ccc2c(c1)C(CCCN1C(=O)c3ccccc3C1=O)=CCO2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTR1A P08908 4/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.43

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
SCHEMBL7784816 0.80 SIGMAR1 (0.62) LMNAMEN1KMT2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL10646143 0.77 TDP1 (0.39) MEN1KMT2AMAPTSMN1; SMN2HTR1A
SCHEMBL8777053 0.72 ALDH1A1 (0.67) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4217666 0.72 RAB9A (0.43) MEN1KMT2AMAPTSMN1; SMN2HTR1A
SCHEMBL8801774 0.71 NR1H2 (0.62) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9369850 0.69 ALDH1A1 (0.47) MEN1KMT2AMAPTSMN1; SMN2HTR1A
SCHEMBL10853404 0.69 MEN1 (0.47) LMNAMEN1KMT2ASMN1; SMN2HTR1A
SCHEMBL17260678 0.68 TDP1 (0.68) MEN1KMT2AALDH1A1HSD17B10RAB9A
SCHEMBL9369038 0.68 ALDH1A1 (0.46) MEN1KMT2AMAPTSMN1; SMN2HTR1A
SCHEMBL10050510 0.68 RAB9A (0.85) MEN1KMT2AMAPTSMN1; SMN2HPGD

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-0161218-B1 BENZO-(PYRANO AND THIOPYRANO)PYRIDINES CIBA-GEIGY AG (CH) 1991-06-26 EP disclosed
US-4721787-A CONDENSATION, REDUCTION, DEHYDRATION CIBA-GEIGY CORPORATION (US) 1988-01-26 US disclosed
US-4604397-A Certain benzo-(pyrano and thiopyrano)-pyridines, useful as CNS agents CIBA-GEIGY CORPORATION (US) 1986-08-05 US disclosed
EP-0161218-A2 Benzo-(pyrano and thiopyrano)pyridines CIBA-GEIGY AG (CH) 1985-11-13 EP disclosed