SCHEMBL31750197

SCHEMBL31750197

O=C(O)c1cncc(Br)c1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.36
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
KDM4E B2RXH2 3/20 0.34
KDM4C Q9H3R0 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33

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
SCHEMBL16694995 1.00 HCAR2 (0.39) HCAR2POLBALDH1A1AKR1C4AKR1C3
Hydrochloric Acid SCHEMBL29256792 0.98 HCAR2 (0.38) HCAR2POLBALDH1A1AKR1C4AKR1C3
SCHEMBL18158951 0.82 SMN1; SMN2 (0.33) HCAR2POLBKDM4E
SCHEMBL659061 0.78 HCAR2 (0.42) HCAR2POLBALDH1A1AKR1C4AKR1C3
SCHEMBL31749918 0.77 SOS1 (0.44) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL16694957 0.77 SOS1 (0.44) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL21749937 0.77 HCAR2 (0.41) HCAR2POLBALDH1A1AKR1C4AKR1C3
SCHEMBL15334246 0.77 AKR1C3 (0.50) HCAR2POLBALDH1A1AKR1C4AKR1C3
SCHEMBL3720517 0.75 HCAR2 (0.39) HCAR2POLBALDH1A1AKR1C4AKR1C3
SCHEMBL465860 0.75 KDM4E (0.42) HCAR2POLBALDH1A1AKR1C4AKR1C3

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-2025264837-A1 NAPHTHYRIDINE GPR52 MODULATORS AND METHODS OF USE THEREOF LIEBER INSTITUTE, INC. (US) 2025-12-26 WO disclosed