SCHEMBL31437979

SCHEMBL31437979

O=C(c1cc(Br)c(F)cc1O)C1CCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
GAA P10253 2/20 0.36
BCL2L1 Q07817 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
RIPK1 Q13546 1/20 0.34
CCR1 P32246 1/20 0.33
CCR2 P41597 1/20 0.33
MGLL Q99685 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CPS1 P31327 1/20 0.32
TSHR P16473 2/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 3/20 0.32
AKR1B1 P15121 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL31104263 0.87 IDO1 (0.39) IDO1TDO2GAARIPK1MGLL
SCHEMBL31437993 0.83 IDO1 (0.36) IDO1TDO2GAARIPK1CCR1
SCHEMBL31438008 0.76 PKM (0.46) AKR1B1
SCHEMBL31438030 0.75 ALDH1A1 (0.34) IDO1TDO2GAARIPK1ALDH1A1
SCHEMBL22823915 0.73 HPGD (0.56) GAAMEN1KMT2APOLBALDH1A1
SCHEMBL1976832 0.73 CA1 (0.45) GAAMEN1KMT2ATSHRALDH1A1
SCHEMBL31437985 0.73 PTGDR (0.40) GAAMEN1KMT2ACPS1ALDH1A1
SCHEMBL19643007 0.72 IDO1 (0.47) IDO1TDO2MGLLALDH1A1
SCHEMBL25217729 0.72 L3MBTL1 (0.35) IDO1TDO2CCR1CCR2MEN1
SCHEMBL873620 0.72 ALDH1A1 (0.42) GAACCR1CCR2MEN1KMT2A

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-4741383-A1 COMPOUND AND USE THEREOF AS ANTI-CANCER DRUG Tyligand Bioscience (Shanghai) Limited (CN) 2026-05-13 EP disclosed
WO-2025011480-A1 COMPOUND AND USE THEREOF AS ANTI-CANCER DRUG 泰励生物科技(上海)有限公司 2025-01-16 WO disclosed