SCHEMBL31751997

SCHEMBL31751997

NC(=O)c1ccccc1NC(=O)C1=CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
BTK Q06187 1/20 0.49
HDAC1 Q13547 6/20 0.48
HDAC2 Q92769 6/20 0.48
HDAC3 O15379 5/20 0.48
TP53 P04637 1/20 0.48
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
GLA P06280 1/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL13739258 0.78 HDAC2 (0.64) BTKHDAC1HDAC2HDAC3HDAC4
SCHEMBL5365142 0.73 KDM4E (0.65) PDCD1CD274TP53NPC1RAB9A
SCHEMBL786246 0.73 PDCD1 (0.81) PDCD1CD274HDAC1HDAC2HDAC3
SCHEMBL17212388 0.72 PDCD1 (0.50) PDCD1CD274TP53NPC1RAB9A
SCHEMBL31751986 0.72 BTK (0.36) BTKHDAC1HDAC2HDAC3TP53
SCHEMBL2606255 0.71 NPC1 (0.64) PDCD1CD274HDAC1HDAC2HDAC3
SCHEMBL11284668 0.71 PDCD1 (0.64) PDCD1CD274NPC1RAB9AKDM4E
SCHEMBL7848398 0.71 KDM4E (0.60) PDCD1CD274TP53KDM4EALDH1A1
SCHEMBL6720875 0.70 MEN1 (0.73) PDCD1CD274NPC1RAB9AKDM4E
SCHEMBL6692379 0.70 HDAC2 (0.58) HDAC1HDAC2HDAC3TP53HDAC4

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-2025081045-A9 CYSTEINE COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2025-12-26 WO disclosed