SCHEMBL30102408

SCHEMBL30102408

CCc1cc(NCCOCc2ccc(F)cc2)c(N)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 3/20 0.36
KCNQ3 O43525 2/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
PTGER4 P35408 2/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
RAB9A P51151 1/20 0.32
IDO1 P14902 2/20 0.32
AGXT P21549 2/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL30102484 0.88 KDM4E (0.37) PTGER4ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL30102413 0.77 HAT1 (0.36) PTGER4ALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL30102414 0.77 PTGER4 (0.33) PTGER4ALDH1A1L3MBTL1
SCHEMBL30102431 0.72 DRD2 (0.44) PTGER4ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL30102415 0.72 ACHE (0.33) PTGER4
SCHEMBL30102382 0.66 HDAC8 (0.46) KDM4ERAB9AHDAC2L3MBTL1
SCHEMBL5728578 0.66 TAAR1 (0.57) ALDH1A1SMN1; SMN2LMNAKDM4ERAB9A
SCHEMBL11036299 0.65 MAPT (0.53) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL13273916 0.64 MMP13 (0.40) PTGER4SMN1; SMN2KDM4EPOLBKCNH2
SCHEMBL10264178 0.64 IDO1 (0.50) LMNAIDO1AGXTL3MBTL1

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-2022272313-A1 MODULATORS OF HISTONE ACETYLTRANSFERASE 1 AND METHODS OF TREATMENT THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-12-29 WO disclosed