SCHEMBL30645352

SCHEMBL30645352

CNC(=O)C(C#N)=Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.70
LMNA P02545 3/20 0.63
PLIN1 O60240 1/20 0.63
PLIN5 Q00G26 1/20 0.63
ABHD5 Q8WTS1 1/20 0.63
MCL1 Q07820 1/20 0.62
ALDH1A1 P00352 3/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.52

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
SCHEMBL6653148 0.85 ALDH1A1 (0.65) ATMALDH1A1MAPK1MEN1KMT2A
SCHEMBL6653154 0.85 ALDH1A1 (0.65) ATMALDH1A1MAPK1MEN1KMT2A
SCHEMBL6645827 0.84 ATM (0.52) ATMLMNAPLIN1PLIN5ABHD5
SCHEMBL7624150 0.83 ATM (0.55) ATMLMNAPLIN1PLIN5ABHD5
SCHEMBL25764477 0.82 ALDH1A1 (0.60) ATMLMNAPLIN1PLIN5ABHD5
Tyrphostin Ag 494 SCHEMBL15362064 0.81 KMT2A (0.74) LMNAPLIN1PLIN5ABHD5MCL1
Tyrphostin Ag 494 SCHEMBL20645572 0.81 KMT2A (0.74) LMNAPLIN1PLIN5ABHD5MCL1
SCHEMBL3614719 0.81 ALDH1A1 (0.75) ATMLMNAPLIN1PLIN5ABHD5
SCHEMBL3614715 0.81 ALDH1A1 (0.75) ATMLMNAPLIN1PLIN5ABHD5
SCHEMBL6344579 0.80 MCL1 (0.68) ATMLMNAPLIN1PLIN5ABHD5

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-116897150-A Novel bifunctional molecules for protein-targeted degradation 安菲斯塔治疗有限公司 2023-10-17 CN disclosed