SCHEMBL31366700

SCHEMBL31366700

NC(=O)Oc1ccc(Br)cc1.O=C(O)NCc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TGM2 P21980 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
GRK2 P25098 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
AKR1B1 P15121 1/20 0.41
RXRA P19793 1/20 0.41

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
SCHEMBL31366711 0.85 CYP2C9 (0.58) L3MBTL1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL1694370 0.83 L3MBTL1 (0.62) L3MBTL1MEN1KMT2ATGM2CYP1A2
SCHEMBL29665195 0.82 L3MBTL1 (0.48) L3MBTL1MEN1KMT2ATGM2CYP1A2
SCHEMBL936193 0.80 MEN1 (0.52) MEN1KMT2ACA1CA2NPC1
SCHEMBL26987837 0.79 L3MBTL1 (0.57) L3MBTL1MEN1KMT2ATGM2CYP1A2
Carbamic Acid Phenyl Ester SCHEMBL31366706 0.77 TSHR (0.48) L3MBTL1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL29284577 0.76 CA1 (0.55) KMT2ACYP2C9TSHRCYP2C19GAA
SCHEMBL28559124 0.75 PPID (0.44) L3MBTL1MEN1KMT2ATGM2CYP1A2
SCHEMBL20786881 0.75 NPC1 (0.61) L3MBTL1KMT2APOLBGAANPC1
SCHEMBL625265 0.75 CYP2C9 (0.66) L3MBTL1MEN1KMT2ATGM2CYP2C9

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
CN-114945572-B HBF pharmacological inducing compounds for the treatment of sickle cell anemia and beta-thalassemia 周美吟 2025-01-28 CN disclosed