SCHEMBL9683578

SCHEMBL9683578

ClCC1OCCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
RECQL P46063 2/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
RAB9A P51151 2/20 0.48
BLM P54132 2/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 2/20 0.47
TAAR1 Q96RJ0 3/20 0.46
HTR1A P08908 2/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
HTR2A P28223 2/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46

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
SCHEMBL7402123 0.86 DRD2 (0.50) ALDH1A1KMT2ALMNAL3MBTL1RECQL
SCHEMBL13197463 0.81 ALDH1A1 (0.51) ALDH1A1KMT2ALMNAL3MBTL1RECQL
SCHEMBL4502485 0.81 HTR2A (0.53) ALDH1A1KMT2ALMNAL3MBTL1RECQL
SCHEMBL7399902 0.81 ALDH1A1 (0.51) ALDH1A1KMT2ALMNAL3MBTL1RECQL
SCHEMBL7345136 0.81 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAL3MBTL1RECQL
SCHEMBL30373690 0.81 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAL3MBTL1RECQL
SCHEMBL29932054 0.81 SLC6A2 (0.38) LMNASMN1; SMN2RAB9AHTR2ACYP2D6
Hydrochloric Acid SCHEMBL27199265 0.80 TSHR (0.52) ALDH1A1KMT2ALMNAL3MBTL1RECQL
SCHEMBL6640390 0.79 ALDH1A1 (0.52) ALDH1A1KMT2ALMNAL3MBTL1RECQL
SCHEMBL20906645 0.79 ALDH1A1 (0.52) ALDH1A1KMT2ALMNAL3MBTL1RECQL

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-5128369-A Antiallergens, bronchodilator agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-07-07 US disclosed
EP-0404197-A2 Arylalkylamine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-12-27 EP disclosed