SCHEMBL28891609

SCHEMBL28891609

COc1cccc2c1C(c1ccccc1)c1c(OC)cccc1N2c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ATM Q13315 1/20 0.42
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ MGLL Q99685 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA7 P43166 1/20 0.38

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
SCHEMBL30056333 1.00 MEN1 (0.42) MEN1KMT2AATMSLC6A2SLC6A4
Bromide SCHEMBL28412751 0.98 DRD2 (0.41) MEN1KMT2AATMSLC6A2SLC6A4
SCHEMBL28409909 0.93 SLC6A2 (0.43) MEN1KMT2AATMSLC6A2SLC6A4
SCHEMBL30053872 0.93 SLC6A2 (0.43) MEN1KMT2AATMSLC6A2SLC6A4
SCHEMBL18052558 0.92 MGLL (0.41) MEN1KMT2AATMMGLLPOLB
SCHEMBL28412475 0.86 MAPT (0.40) MEN1KMT2AATMSLC6A2SLC6A4
SCHEMBL28415327 0.85 SLC6A2 (0.46) MEN1KMT2AATMSLC6A2SLC6A4
SCHEMBL30056324 0.85 SLC6A2 (0.46) MEN1KMT2AATMSLC6A2SLC6A4
SCHEMBL28409379 0.85 ALDH1A1 (0.35) MEN1KMT2AATMSLC6A2SLC6A4
Bromide SCHEMBL28415457 0.85 MAPT (0.39) MEN1KMT2AATMSLC6A2SLC6A4

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-111315829-B Small molecule organic dye 巴塞尔大学 2022-11-04 — — CN disclosed
CN-111315829-A Small molecule organic dye 巴塞尔大学 2020-06-19 — — CN disclosed
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