SCHEMBL29063457

SCHEMBL29063457

NC(=O)c1cc2c(Cl)ccc(Cl)c2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.45
▸ CDK8 P49336 2/20 0.45
▸ MAP2 P11137 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ RHEB Q15382 1/20 0.41
▸ MAP2K1 Q02750 1/20 0.40
▸ NUDT1 P36639 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ EIF4A3 P38919 1/20 0.38
▸ FBP1 P09467 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ BCAT2 O15382 1/20 0.36
▸ LIN28A Q9H9Z2 1/20 0.35
▸ CDK1 P06493 1/20 0.35

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
SCHEMBL29062921 0.86 IDO1 (0.48) CCNCCDK8MAP2KMT2AATM
SCHEMBL3959096 0.83 EIF4A3 (0.53) KMT2ARHEBKDM4EEIF4A3ALDH1A1
SCHEMBL30310764 0.83 EIF4A3 (0.53) KMT2ARHEBKDM4EEIF4A3ALDH1A1
SCHEMBL29062784 0.82 KDM4E (0.57) CCNCCDK8MAP2KMT2ARHEB
SCHEMBL8319918 0.77 GLA (0.48) KDM4EFBP1ALDH1A1CDK1CCNB1
SCHEMBL20504857 0.76 EIF4A3 (0.50) CCNCCDK8MAP2RHEBMAP2K1
SCHEMBL30310556 0.75 HRH4 (0.56) CCNCCDK8MAP2KMT2AKDM4E
SCHEMBL20505087 0.75 FLT3 (0.57) MAP2KMT2ARHEBNUDT1KDM4E
SCHEMBL29063451 0.75 HRH4 (0.56) CCNCCDK8MAP2KMT2AKDM4E
SCHEMBL26912440 0.75 CCNC (0.40) CCNCCDK8KMT2ARHEBMAP2K1

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
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 — — CN disclosed
EP-4161902-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-04-12 — — EP disclosed
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