SCHEMBL28228979

SCHEMBL28228979

BrN1c2ccccc2C=CC1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
P2RX4 Q99571 5/20 0.33
LMNA P02545 3/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
P2RX1 P51575 2/20 0.32
P2RX3 P56373 2/20 0.32
P2RX7 Q99572 2/20 0.32
SCN4A P35499 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL27992643 0.76 KMT2A (0.36) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
Ammonia Solution, Strong SCHEMBL27969991 0.75 KMT2A (0.36) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL7529541 0.70 SMN1; SMN2 (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL24467797 0.68 MEN1 (0.36) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL9253079 0.66 SMN1; SMN2 (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL31463623 0.65 TSHR (0.36) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL28015523 0.63 MEN1 (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL4595683 0.59 MEN1 (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL20651294 0.59 MEN1 (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL22694317 0.59 MEN1 (0.37) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1

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-108276336-A Organic photoelectric functional material, light-emitting device, and preparation method and application thereof 瑞声光电科技(常州)有限公司 2018-07-13 CN disclosed