SCHEMBL31070522

SCHEMBL31070522

COc1ccc(-c2ccc3c(c2)CN(C(N)=O)C3c2c[nH]c3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CDK4 P11802 3/20 0.41
CCND1 P24385 3/20 0.41
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
PDE1C Q14123 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PLK4 O00444 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
SCHEMBL31070471 0.93 MAPT (0.46) HSD11B1MAPTMEN1KMT2AUSP2
SCHEMBL31083744 0.91 PDE4D (0.45) HSD11B1MAPTMEN1KMT2AUSP2
SCHEMBL31070623 0.90 ECE1 (0.40) LMNACDK4CCND1KDM4EBRD4
SCHEMBL31070531 0.88 MAP2 (0.44) LMNAKIF11
SCHEMBL31070502 0.88 HSD11B1 (0.45) HSD11B1MEN1KMT2AKDM4EALDH1A1
SCHEMBL31070602 0.88 FLT4 (0.42) MAPTMEN1KMT2AUSP2LMNA
SCHEMBL31070454 0.87 PRKAB2 (0.43) HSD11B1LMNA
SCHEMBL31070637 0.86 IMPDH2 (0.38) TP53CDK4CCND1KDM4EBRD4
SCHEMBL31070512 0.86 CCR2 (0.41) MMP2MMP9KDM4EBRD4ALDH1A1
SCHEMBL31070509 0.84 KIF11 (0.36) MAPTLMNAPDE1CKDM4EBRD4

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
CN-118515600-A Isoindoline compound and medical application thereof 中国科学院上海药物研究所 2024-08-20 CN disclosed