SCHEMBL25836962

SCHEMBL25836962

Cc1cc(CNC(=O)NC2CC2)c(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 6/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 3/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.42
EPHX1 P07099 2/20 0.42
GAA P10253 1/20 0.41
MCHR1 Q99705 1/20 0.40
DRD4 P21917 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL25834182 0.81 PDE4A (0.43) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL25836749 0.78 RAB9A (0.53) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL27423311 0.77 P2RX7 (0.39) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL27003483 0.73 LMNA (0.42) HPGDKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL25834549 0.73 P2RX7 (0.52) HPGDHTTEPHX1
SCHEMBL31593893 0.69 SLC6A4 (0.39)
SCHEMBL27428314 0.69 SLC6A4 (0.39)
SCHEMBL4980687 0.68 HPGD (0.52) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL4981117 0.68 ACKR3 (0.54) ALDH1A1RAB9ATSHREPHX2MCHR1
SCHEMBL27423559 0.68 P2RX7 (0.53) EPHX2EPHX1

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-2023122267-A2 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION JNANA THERAPEUTICS INC. (US) 2023-06-29 WO disclosed