SCHEMBL14048801

SCHEMBL14048801

B=C(N)Cc1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
CTBP2 P56545 1/20 0.46
MAPK8 P45983 1/20 0.43
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SHBG P04278 1/20 0.40
NPC1 O15118 1/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CHRM2 P08172 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL6448276 0.80 TAAR1 (0.50) TAAR1CTBP2MAPK8MEN1MAPT
SCHEMBL13740254 0.80 CTBP2 (0.47) TAAR1CTBP2MAPK8MEN1MAPT
SCHEMBL29718576 0.78 CTBP2 (0.55) TAAR1CTBP2MAPK8MEN1MAPT
SCHEMBL5792021 0.78 TAAR1 (0.48) TAAR1CTBP2MAPK8MEN1MAPT
SCHEMBL14098647 0.78 PKM (0.59) TAAR1CTBP2MAPK8MEN1MAPT
SCHEMBL158861 0.78 CTBP2 (0.55) TAAR1CTBP2MAPK8MEN1MAPT
Hydrochloric Acid SCHEMBL216730 0.77 TAAR1 (0.47) TAAR1CTBP2MAPK8MEN1MAPT
Hydrochloric Acid SCHEMBL14167478 0.77 CTBP2 (0.53) TAAR1CTBP2MAPK8MEN1MAPT
SCHEMBL19611620 0.75 LMNA (0.61) TAAR1CTBP2MAPK8MEN1MAPT
SCHEMBL102788 0.75 LMNA (0.61) TAAR1CTBP2MAPK8MEN1MAPT

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
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP disclosed