SCHEMBL21936571

SCHEMBL21936571

C1=Cc2c(oc3c(-c4ccc(Nc5ccccc5)cc4)cccc23)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PRKDC P78527 6/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ SLC6A2 P23975 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
SCHEMBL24967136 0.92 ALOX5 (0.43) ALDH1A1SMN1; SMN2MEN1GAAKMT2A
SCHEMBL19524878 0.91 KDM4E (0.33) ALDH1A1SMN1; SMN2MEN1GAAKMT2A
SCHEMBL21784249 0.88 PRKDC (0.39) ALDH1A1SMN1; SMN2ALOX5KDM4EPRKDC
SCHEMBL25000266 0.88 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MEN1GAAKMT2A
SCHEMBL19558385 0.83 AKR1C3 (0.38) ALDH1A1SMN1; SMN2MEN1GAAKMT2A
SCHEMBL10117596 0.79 KDM4E (0.34) SMN1; SMN2MEN1KMT2AALOX5KDM4E
SCHEMBL23652322 0.79 PRKDC (0.36) ALDH1A1SMN1; SMN2POLBHPGDATM
SCHEMBL20363794 0.79 PRKDC (0.34) ALDH1A1SMN1; SMN2KDM4EPRKDCALOX15
SCHEMBL19595100 0.78 — —
SCHEMBL24627623 0.78 ALOX5 (0.41) ALDH1A1SMN1; SMN2ALOX5ATMKDM4E

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-2020085797-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-04-30 — — WO disclosed
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