SCHEMBL28668407

SCHEMBL28668407

Cc1ccc2nc(Br)cc(Cc3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ACHE P22303 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
NQO2 P16083 1/20 0.40
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL28626532 0.81 DHODH (0.60) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL9724208 0.77 KMT2A (0.51) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL5458882 0.73 LMNA (0.47) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL10063317 0.73 ALDH1A1 (0.61) DHODHMEN1KMT2ARAB9AL3MBTL1
SCHEMBL28970614 0.72 CYP3A4 (0.46) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL7253268 0.70 CYP1A2 (0.63) MEN1KMT2ARAB9ASMN1; SMN2L3MBTL1
SCHEMBL4048648 0.70 CYP1A2 (0.58) MEN1KMT2ARAB9ASMN1; SMN2MAPT
Ammonia Solution, Strong SCHEMBL27937829 0.70 CYP1A2 (0.55) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL12749460 0.70 MAPT (0.71) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL13848609 0.70 DHODH (0.52) DHODHMEN1KMT2ARAB9ASMN1; SMN2

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-108947898-B Organic photoelectric functional material and application thereof 南京工业大学 2021-11-05 CN disclosed