SCHEMBL9878013

SCHEMBL9878013

C#CCN(C=O)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.42
MAOB P27338 6/20 0.42
LIMK1 P53667 1/20 0.40
LIMK2 P53671 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
PYCR1 P32322 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
CES1 P23141 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL14493279 0.81 ALDH1A1 (0.42) ALDH1A1MAPK1TDP1HPGDCYP3A4
SCHEMBL8484820 0.79 LIMK1 (0.52) MAOAMAOBLIMK1LIMK2ALDH1A1
SCHEMBL9473535 0.78 ALDH1A1 (0.42) ALDH1A1MAPK1HPGDMEN1MAPT
SCHEMBL12650288 0.78 ALDH1A1 (0.53) ALDH1A1MAPK1TDP1HPGDLMNA
SCHEMBL8673185 0.78 HSD11B1 (0.51) ALDH1A1TDP1LMNATSHRKDM4E
SCHEMBL10296224 0.78 GSK3B (0.45) ALDH1A1MAPK1TDP1HPGDCYP3A4
SCHEMBL15453504 0.76 MAOA (0.51) MAOAMAOBALDH1A1HPGDCYP3A4
SCHEMBL9877666 0.76 ALDH1A1 (0.44) ALDH1A1HPGDCYP3A4LMNAKDM4E
SCHEMBL28381203 0.75 ADRA2C (0.54) MAOAMAOBALDH1A1TDP1HPGD
SCHEMBL14855616 0.75 HPGD (0.46) ALDH1A1MAPK1TDP1HPGDLMNA

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-5036098-A Urogenital disorders NIPPON SHINYAKU CO., LTD. (JP) 1991-07-30 US disclosed