SCHEMBL30457529

SCHEMBL30457529

N#CC(C#N)=Cc1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 5/20 0.56
POLB P06746 2/20 0.56
PKM P14618 1/20 0.56
MAPT P10636 7/20 0.54
MEN1 O00255 5/20 0.54
LMNA P02545 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
EGFR P00533 5/20 0.52
CYP2C9 P11712 3/20 0.52
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 3/20 0.52
HPGD P15428 3/20 0.52
TSHR P16473 3/20 0.52
NFKB1 P19838 3/20 0.52
BLM P54132 3/20 0.52
PMP22 Q01453 3/20 0.52
MAPK1 P28482 2/20 0.52
TP53 P04637 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
SCHEMBL3368325 1.00 KMT2A (0.56) KMT2AALDH1A1KDM4EPOLBPKM
SCHEMBL5865768 0.86 ALDH1A1 (0.65) KMT2AALDH1A1KDM4EPOLBMAPT
SCHEMBL28459287 0.81 MAPT (0.56) KMT2AALDH1A1KDM4EPOLBPKM
SCHEMBL13485336 0.80 KIF20A (0.58) KMT2AALDH1A1KDM4EPOLBPKM
SCHEMBL15286525 0.79 EGFR (0.59) KMT2AALDH1A1KDM4EPOLBMAPT
SCHEMBL8543873 0.78 EGFR (0.64) KMT2AALDH1A1KDM4EPOLBMAPT
SCHEMBL364137 0.78 MAPT (0.58) KMT2AALDH1A1KDM4EPOLBPKM
SCHEMBL364138 0.78 MAPT (0.58) KMT2AALDH1A1KDM4EPOLBPKM
SCHEMBL28791207 0.78 KDM4E (0.74) KMT2AALDH1A1KDM4EPOLBPKM
SCHEMBL29538396 0.78 KDM4E (0.74) KMT2AALDH1A1KDM4EPOLBPKM

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-4447963-A1 SELECTIVE PHD1 INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Akebia Therapeutics Inc. (US) 2024-10-23 EP disclosed
WO-2023111990-A1 SELECTIVE PHD1 INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed