SCHEMBL23362140

SCHEMBL23362140

Cc1cccc(C)c1-c1ccccc1-c1ccnc(N)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ TP53 P04637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ TSHR P16473 2/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ LMNA P02545 5/20 0.39
▸ HTT P42858 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ NPY1R P25929 1/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ PKM P14618 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
SCHEMBL18131092 0.90 SMN1; SMN2 (0.50) MAPTSMN1; SMN2KMT2AALDH1A1TP53
SCHEMBL27734089 0.81 SMN1; SMN2 (0.47) MAPTSMN1; SMN2KMT2AALDH1A1TP53
SCHEMBL17660373 0.78 MAPT (0.42) MAPTSMN1; SMN2KMT2AALDH1A1TP53
SCHEMBL17555748 0.78 MAPT (0.49) MAPTSMN1; SMN2KMT2ALMNAHTT
SCHEMBL1840937 0.76 MEN1 (0.48) MAPTSMN1; SMN2KMT2AALDH1A1TDP1
SCHEMBL204345 0.75 NOS2 (0.50) MAPTSMN1; SMN2KMT2AALDH1A1TP53
SCHEMBL29674727 0.75 NOS2 (0.50) MAPTSMN1; SMN2KMT2AALDH1A1TP53
SCHEMBL17555750 0.74 HTT (0.48) MAPTSMN1; SMN2KMT2ALMNAHTT
SCHEMBL11900982 0.71 ALDH1A1 (0.60) MAPTSMN1; SMN2KMT2AALDH1A1TP53
SCHEMBL11847292 0.71 ALDH1A1 (0.78) MAPTSMN1; SMN2KMT2AALDH1A1TDP1

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-2021096268-A2 BLUE PHOSPHORESCENT MATERIAL, PRODUCTION METHOD THEREOF, AND PHOTOPHYSICAL PROPERTIES THEREOF 고려대학교 산학협력단 2021-05-20 — — WO disclosed
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