SCHEMBL29348787

SCHEMBL29348787

O=C(Nc1ccon1)c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
RAB9A P51151 3/20 0.57
HTT P42858 2/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
NPC1 O15118 2/20 0.57
TSHR P16473 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.51
CCNA2 P20248 3/20 0.50
CDK2 P24941 3/20 0.50
CCNA1 P78396 3/20 0.50
TP53 P04637 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL5550226 0.83 SMN1; SMN2 (0.60) KMT2ASMN1; SMN2RAB9AHTTKDM4E
SCHEMBL1233320 0.83 RAB9A (0.65) KMT2ASMN1; SMN2RAB9AHTTKDM4E
SCHEMBL11277786 0.83 SMN1; SMN2 (0.68) KMT2ASMN1; SMN2RAB9AHTTKDM4E
SCHEMBL20332878 0.81 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2RAB9AHTTKDM4E
SCHEMBL29477055 0.79 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2RAB9AHTTKDM4E
SCHEMBL22468550 0.79 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2RAB9AHTTKDM4E
SCHEMBL18420793 0.76 SMN1; SMN2 (0.66) KMT2ASMN1; SMN2RAB9AHTTKDM4E
SCHEMBL14630700 0.74 CA1 (0.53) KMT2ASMN1; SMN2RAB9AHTTKDM4E
SCHEMBL3890906 0.73 SMN1; SMN2 (0.62) KMT2ASMN1; SMN2RAB9AHTTKDM4E
SCHEMBL5070509 0.73 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2RAB9AHTTKDM4E

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-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed