SCHEMBL27436768

SCHEMBL27436768

COc1cc2c(cc1F)N(C(=O)CCl)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HTR1B P28222 5/20 0.45
HTR1D P28221 4/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
XBP1 P17861 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 3/20 0.43
CASP3 P42574 1/20 0.43
CASP2 P42575 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR1A P08908 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41

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
SCHEMBL23817954 0.89 ALDH1A1 (0.50) KMT2AMEN1HTR1BHTR1DALDH1A1
SCHEMBL2207115 0.80 HTR1A (0.50) KMT2AMEN1HTR1BHTR1DALDH1A1
SCHEMBL20939751 0.78 HTR1A (0.48) KMT2AMEN1HTR1BHTR1DALDH1A1
SCHEMBL25455118 0.77 LMNA (0.58) KMT2AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL27165463 0.76 BIRC2 (0.60) KMT2AMEN1ALDH1A1LMNANPC1
SCHEMBL13942396 0.72 LMNA (0.44) KMT2AMEN1HTR1BHTR1DLMNA
SCHEMBL2203257 0.71 LMNA (0.44) HTR1BHTR1DALDH1A1LMNANPC1
SCHEMBL3463893 0.71 MAPT (0.47) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL18763042 0.71 SLC22A12 (0.58) KMT2AMEN1ALDH1A1LMNANPC1
SCHEMBL27436767 0.71 XIAP (0.56) KMT2AMEN1ALDH1A1LMNANPC1

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
WO-2024133499-A1 GLYCINE DERIVATIVES WITH P2X4 RECEPTOR-BLOCKING ACTIVITY AS DIAGNOSTICS AND FOR THE TREATMENT OF PAIN, INFLAMMATION, CANCER, AND OTHER P2X4 RECEPTOR-RELATED DISEASES RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) 2024-06-27 WO disclosed