SCHEMBL30977574

SCHEMBL30977574

COc1cc(I)c(F)cc1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
SLC16A3 O15427 1/20 0.40
SLC16A1 P53985 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
HTT P42858 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
NR3C1 P04150 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL30977513 0.86 HTT (0.43) ACHEMAPTKDM4EGAASLC16A3
SCHEMBL30977494 0.79 SLC16A3 (0.40) ACHEMAPTKDM4EGAASLC16A3
SCHEMBL30977503 0.78 HTR2A (0.41) ACHEMAPTKDM4EGAASLC16A3
SCHEMBL30977558 0.76 L3MBTL1 (0.36) ACHEMAPTKDM4EGAASLC16A3
SCHEMBL11291062 0.75 CYP2C19 (0.49) MAPTKDM4EGAASLC16A3SLC16A1
SCHEMBL30977350 0.75 ACHE (0.36) ACHEMAPTKDM4EGAASLC16A3
SCHEMBL11777003 0.73 ALDH1A1 (0.49) MAPTKDM4EGAAL3MBTL1MAPK1
SCHEMBL15705233 0.73 CYP2C19 (0.50) ACHEMAPTKDM4EGAASLC16A3
SCHEMBL30977369 0.72 L3MBTL1 (0.38) ACHEMAPTKDM4EGAAL3MBTL1
SCHEMBL30977378 0.72 L3MBTL1 (0.36) ACHESLC16A3SLC16A1L3MBTL1MAPK1

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-4619402-A1 GPR17 MODULATORS AND USES THEREOF Myrobalan Therapeutics, Inc. (US) 2025-09-24 EP disclosed
WO-2024104462-A1 GPR17 MODULATORS AND USES THEREOF MYROBALAN THERAPEUTICS NANJING CO. LTD (CN) 2024-05-23 WO disclosed