SCHEMBL26047883

SCHEMBL26047883

c1ccc2cc(-c3ccc(-c4nc(-c5ccc6c(c5)sc5ccccc56)nc(-c5cccc6ccc7c8ccccc8ccc7c56)n4)cc3)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 8/20 0.34
S1PR4 O95977 6/20 0.34
CYP1A2 P05177 2/20 0.33
MAOA P21397 2/20 0.33
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 1/20 0.33
PIM1 P11309 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5 P09917 1/20 0.32
HSD17B10 Q99714 2/20 0.32
THRB P10828 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CNR1 P21554 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
SCHEMBL26435332 0.96 S1PR5 (0.35) S1PR5S1PR4MAOAPIM1ALDH1A1
SCHEMBL26047770 0.93 S1PR5 (0.36) S1PR5S1PR4PIM1ALDH1A1HPGD
SCHEMBL24473201 0.92 F9 (0.36) S1PR5S1PR4CYP1A2MAOAERBB2
SCHEMBL25622522 0.92 F9 (0.36) S1PR5S1PR4CYP1A2MAOAERBB2
SCHEMBL26435354 0.92 ALDH1A1 (0.36) S1PR5S1PR4CYP1A2MAOAERBB2
SCHEMBL27251257 0.91 S1PR5 (0.35) S1PR5S1PR4CYP1A2MAOAERBB2
SCHEMBL26271497 0.90 PIM1 (0.38) S1PR5S1PR4PIM1ALDH1A1HPGD
SCHEMBL27251253 0.90 S1PR5 (0.38) S1PR5S1PR4PIM1ALDH1A1HPGD
SCHEMBL25817919 0.89 F9 (0.34) S1PR5S1PR4ALDH1A1HPGDMAPT
SCHEMBL26435396 0.89 ALDH1A1 (0.34) CYP1A2ALDH1A1HPGDMAPTRAB9A

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
WO-2023153905-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2023-08-17 WO disclosed