SCHEMBL25833852

SCHEMBL25833852

O=C(NCc1cc(-c2cccc(Br)c2)no1)NC1CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.53
KMT2A Q03164 3/20 0.44
IGF1R P08069 1/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
JAK2 O60674 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41
LMNA P02545 2/20 0.41
MLLT1 Q03111 1/20 0.39
EPHX1 P07099 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL27423623 0.88 NOTUM (0.52) EPHX2IGF1RPOLBSMN1; SMN2ALDH1A1
SCHEMBL6404226 0.83 EPHX1 (0.57) EPHX2KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL27423856 0.82 EPHX2 (0.49) EPHX2SMN1; SMN2CYP1A2RAB9A
SCHEMBL19263253 0.78 EPHX2 (0.46) EPHX2IGF1RPOLBSMN1; SMN2ALDH1A1
SCHEMBL6403544 0.77 RAB9A (0.57) EPHX2KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL6402421 0.76 RAB9A (0.59) EPHX2KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL19263045 0.75 POLB (0.46) EPHX2KMT2AIGF1RPOLBSMN1; SMN2
SCHEMBL1096320 0.73 HPGD (0.47) EPHX2POLBSMN1; SMN2ALDH1A1HTT
SCHEMBL27422829 0.71 POLB (0.57) EPHX2IGF1RPOLBSMN1; SMN2ALDH1A1
SCHEMBL27419590 0.71 EPHX2 (0.67) EPHX2KMT2APOLBSMN1; SMN2ALDH1A1

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