SCHEMBL29796153

SCHEMBL29796153

Cc1c(Cl)cc([N+](=O)[O-])cc1CN1CCC(N2CCOCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CTSB P07858 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
KCNJ1 P48048 1/20 0.43
GSPT1 P15170 1/20 0.40
CRBN Q96SW2 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
CHRM1 P11229 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TRPV6 Q9H1D0 1/20 0.38

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
SCHEMBL27076452 1.00 ALDH1A1 (0.47) ALDH1A1LMNAKDM4ECTSBSMN1; SMN2
SCHEMBL23213590 0.89 CTSB (0.57) ALDH1A1LMNAKDM4ECTSBSMN1; SMN2
SCHEMBL29739612 0.89 CTSB (0.57) ALDH1A1LMNAKDM4ECTSBSMN1; SMN2
SCHEMBL29796053 0.81 GSPT1 (0.41) ALDH1A1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL23213421 0.81 GSPT1 (0.41) ALDH1A1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL29795985 0.80 LMNA (0.51) ALDH1A1LMNAKDM4ECTSBSMN1; SMN2
SCHEMBL23213367 0.80 LMNA (0.51) ALDH1A1LMNAKDM4ECTSBSMN1; SMN2
SCHEMBL23213560 0.78 LMNA (0.49) ALDH1A1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL29795957 0.78 LMNA (0.49) ALDH1A1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL23214090 0.77 GSPT1 (0.53) ALDH1A1KDM4ESMN1; SMN2GSPT1CRBN

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-4041231-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics AG (CH) 2022-08-17 EP disclosed