SCHEMBL29924032

SCHEMBL29924032

COc1ccc(-c2nc3cc(Br)ccn3c2C=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
RAB9A P51151 5/20 0.67
NPC1 O15118 4/20 0.67
KDM4E B2RXH2 4/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
KMT2A Q03164 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
NPM1 P06748 1/20 0.44
ALK Q9UM73 1/20 0.44
POLB P06746 1/20 0.41
GAA P10253 3/20 0.41
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 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
SCHEMBL29953652 0.83 NPC1 (0.53) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL15331325 0.81 RAB9A (0.65) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL15333053 0.75 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL15331634 0.73 RAB9A (0.65) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL13387977 0.72 NPC1 (0.60) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL28851936 0.71 GAA (0.54) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL22001460 0.70 NPC1 (0.74) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL15330883 0.70 ALDH1A1 (0.52) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL25414285 0.70 ADORA2A (0.40) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5737820 0.70 KMT2A (0.67) ALDH1A1RAB9ANPC1KDM4ESMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115215864-B Fluorescent probe for detecting viscosity of beverage and preparation method and application thereof 华南理工大学 2023-08-18 CN claimed
CN-115215864-A Fluorescent probe for detecting viscosity of drink and preparation method and application thereof 华南理工大学 2022-10-21 CN claimed
CN-115215864-B Fluorescent probe for detecting viscosity of beverage and preparation method and application thereof 华南理工大学 2023-08-18 CN disclosed
CN-115215864-A Fluorescent probe for detecting viscosity of drink and preparation method and application thereof 华南理工大学 2022-10-21 CN disclosed