SCHEMBL21163363

SCHEMBL21163363

O=C(c1ccccc1P)N1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.58
TSHR P16473 2/20 0.57
RECQL P46063 1/20 0.57
HPGD P15428 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GLA P06280 1/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
MAPK10 P53779 1/20 0.54
POLB P06746 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
TP53BP1 Q12888 1/20 0.51
L3MBTL3 Q96JM7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL10720608 0.84 TSHR (0.69) HTTTSHRRECQLHPGDSMN1; SMN2
SCHEMBL4057568 0.79 MAPT (0.68) HTTTSHRRECQLHPGDSMN1; SMN2
SCHEMBL2302971 0.79 MAPT (0.68) HTTTSHRRECQLHPGDSMN1; SMN2
SCHEMBL16051336 0.79 ALDH1A1 (0.67) HTTTSHRRECQLHPGDSMN1; SMN2
SCHEMBL1583125 0.78 SMN1; SMN2 (0.59) HTTTSHRRECQLHPGDSMN1; SMN2
SCHEMBL2951307 0.78 MEN1 (0.72) HTTTSHRHPGDSMN1; SMN2MEN1
SCHEMBL10330512 0.78 HTT (0.86) HTTTSHRRECQLHPGDKMT2A
SCHEMBL3456393 0.78 KMT2A (0.72) HTTHPGDMEN1KMT2AGLA
SCHEMBL2303658 0.78 HTT (0.58) HTTTSHRRECQLHPGDSMN1; SMN2
SCHEMBL5166136 0.78 SMN1; SMN2 (0.59) HTTTSHRRECQLHPGDSMN1; SMN2

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-3508477-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2019-07-10 EP disclosed