SCHEMBL28934572

SCHEMBL28934572

Clc1ccc2c(c1)N(c1ccccc1)c1ccccc1O2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
P2RX4 Q99571 1/20 0.43
AHR P35869 1/20 0.42
OPRK1 P41145 1/20 0.41
PDE4D Q08499 1/20 0.41
PGR P06401 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40
PMP22 Q01453 1/20 0.40
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL22166357 0.95 AHR (0.47) PIM1MEN1KMT2ATDP1P2RX4
SCHEMBL13833015 0.90 P2RX4 (0.43) PIM1MEN1KMT2ATDP1P2RX4
SCHEMBL18542343 0.85 CYP1A2 (0.44) PIM1MEN1KMT2ATDP1AHR
SCHEMBL28720791 0.85 AHR (0.44) PIM1MEN1KMT2ATDP1AHR
SCHEMBL25625962 0.85 PIM1 (0.46) PIM1MEN1KMT2ATDP1P2RX4
SCHEMBL29407335 0.84 PIM1 (0.42) PIM1MEN1KMT2ATDP1P2RX4
SCHEMBL27968135 0.84 P2RX4 (0.53) MEN1KMT2AP2RX4PGRALDH1A1
SCHEMBL29406608 0.84 P2RX4 (0.47) P2RX4ALDH1A1
SCHEMBL1573992 0.84 P2RX4 (0.47) P2RX4ALDH1A1
SCHEMBL29379993 0.84 P2RX4 (0.47) P2RX4ALDH1A1

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
CN-114133408-B Boron-based compound and application thereof in organic electroluminescent device 武汉尚赛光电科技有限公司 2024-05-14 CN disclosed
CN-114133408-A Boron-based compound and application thereof in organic electroluminescent device 武汉尚赛光电科技有限公司 2022-03-04 CN disclosed