SCHEMBL29918012

SCHEMBL29918012

[2H]C([2H])([2H])Oc1cc(Br)ccc1NC(=N)CC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
GAA P10253 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ACLY P53396 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL21598025 0.90 HTT (0.48) LPAR1HTTMAPTALDH1A1KMT2A
SCHEMBL21598071 0.79 IDH1 (0.42) LPAR1MAPTPOLB
SCHEMBL21598041 0.79 SMN1; SMN2 (0.38) LPAR1MAPTALDH1A1KMT2AMEN1
SCHEMBL21598006 0.74 MAPT (0.53) HTTMAPTALDH1A1KMT2AMEN1
SCHEMBL21217705 0.72 HTT (0.72) LPAR1HTTMAPTALDH1A1KMT2A
SCHEMBL526203 0.71 LPAR1 (0.49) LPAR1HTTMAPTALDH1A1KMT2A
SCHEMBL21598020 0.69 LPAR1 (0.47) LPAR1HTTMAPTALDH1A1KMT2A
SCHEMBL2076016 0.66 LPAR1 (0.57) LPAR1HTTMAPTALDH1A1KMT2A
SCHEMBL31079121 0.66 LPAR1 (0.57) LPAR1HTTMAPTALDH1A1KMT2A
SCHEMBL3504431 0.66 LPAR1 (0.57) LPAR1HTTMAPTALDH1A1KMT2A

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-3807251-B1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2022-09-07 EP disclosed