SCHEMBL31056764

SCHEMBL31056764

O=C(O)c1ccccc1C1CCNCCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 1/20 0.39
SLC18A3 Q16572 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ABCC1 P33527 1/20 0.37
HTR2C P28335 2/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
HRH1 P35367 1/20 0.36
SCN1A P35498 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A2 P23975 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
SCHEMBL31424094 0.89 ALDH1A1 (0.46) CYP2C9ALDH1A1ALOX15LMNAHPGD
SCHEMBL15203701 0.86 PARP1 (0.44) CYP2C9ALDH1A1ALOX15ABCC1CYP2D6
SCHEMBL30109175 0.86 PARP1 (0.44) CYP2C9ALDH1A1ALOX15ABCC1CYP2D6
SCHEMBL28789929 0.84 PARP1 (0.43) CYP2C9ALDH1A1ALOX15MEN1CYP2D6
SCHEMBL28452039 0.84 PARP1 (0.43) CYP2C9ALDH1A1ALOX15MEN1CYP2D6
SCHEMBL4878097 0.80 HTR2C (0.53) CYP2C9ALDH1A1ALOX15SLC18A3SIGMAR1
SCHEMBL31056773 0.77 CYP2C9 (0.40) CYP2C9ALDH1A1ALOX15CYP2D6KMT2A
SCHEMBL10651485 0.76 ALDH1A1 (0.48) CYP2C9ALDH1A1ALOX15LMNAHPGD
SCHEMBL31056868 0.76 CYP2C9 (0.39) CYP2C9ALDH1A1ALOX15MEN1LMNA
Phthalic Acid SCHEMBL5874844 0.75 ALDH1A1 (0.70) ALDH1A1ALOX15SIGMAR1ABCC1HPGD

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-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed