SCHEMBL30004340

SCHEMBL30004340

Cc1c(I)cc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
HTT P42858 3/20 0.56
MEN1 O00255 3/20 0.56
LMNA P02545 1/20 0.56
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.43
AKR1B1 P15121 1/20 0.43
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3945043 1.00 KMT2A (0.56) KMT2AHTTMEN1LMNAALDH1A1
SCHEMBL623566 0.87 ALDH1A1 (0.54) KMT2AHTTMEN1LMNAALDH1A1
SCHEMBL89086 0.82 ALDH1A1 (0.50) KMT2AHTTMEN1ALDH1A1MAPT
SCHEMBL30406917 0.82 ALDH1A1 (0.50) KMT2AHTTMEN1ALDH1A1MAPT
SCHEMBL3945186 0.82 MEN1 (0.51) KMT2AHTTMEN1LMNAALDH1A1
SCHEMBL8528596 0.81 HTT (0.68) KMT2AHTTMEN1LMNAALDH1A1
SCHEMBL394667 0.81 TSHR (0.57) KMT2AHTTMEN1LMNAALDH1A1
SCHEMBL29739625 0.81 CA1 (0.53) KMT2AHTTMEN1LMNAALDH1A1
SCHEMBL18497802 0.81 CA1 (0.53) KMT2AHTTMEN1LMNAALDH1A1
SCHEMBL29697071 0.81 TSHR (0.57) KMT2AHTTMEN1LMNAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4323350-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics AG (CH) 2024-02-21 EP disclosed
WO-2022219407-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2022-10-20 WO disclosed