SCHEMBL7441184

SCHEMBL7441184

[c]1ccc(-c2cn(Cc3ccccc3)c3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.55
KCNH2 Q12809 1/20 0.55
DYRK1A Q13627 1/20 0.55
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
ESR1 P03372 1/20 0.50
HTR6 P50406 1/20 0.49
PDE4A P27815 3/20 0.49
PDE4B Q07343 3/20 0.49
PDE4C Q08493 3/20 0.49
PDE4D Q08499 3/20 0.49
PDE3B Q13370 3/20 0.49
PDE3A Q14432 3/20 0.49

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
SCHEMBL4754296 0.89 SIRT2 (0.61) F2RL3SIRT2KCNH2DYRK1AMEN1
SCHEMBL5355132 0.82 F2RL3 (0.62) F2RL3SIRT2KCNH2DYRK1AMEN1
SCHEMBL5357642 0.78 F2RL3 (0.58) F2RL3SIRT2KCNH2DYRK1AMEN1
SCHEMBL7441180 0.78 SIRT2 (0.53) F2RL3SIRT2MEN1ALDH1A1TSHR
SCHEMBL12260323 0.76 F2RL3 (0.49) F2RL3SIRT2KCNH2DYRK1AMEN1
SCHEMBL10325497 0.73 KDM4E (0.51) KCNH2DYRK1APOLBHTR6PDE4A
Propionic Acid SCHEMBL19133584 0.72 F2RL3 (0.64) F2RL3SIRT2KCNH2DYRK1AMEN1
SCHEMBL28742332 0.72 L3MBTL1 (0.68) MEN1ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL7113697 0.72 POLB (0.74) MEN1ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL3131200 0.72 IMPDH2 (0.57) DYRK1AALDH1A1TSHRSMN1; SMN2LMNA

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-4963689-A ANTIEMETICS, ANALGESICS, GASTROINTESTINAL DISORDERS, SCHIZOPHRENIA PFIZER INC. (US) 1990-10-16 US claimed