SCHEMBL19610233

SCHEMBL19610233

Cc1ccc(CCn2c3c(sc2=N)CCCC3)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.61
CYP1B1 Q16678 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
MAPK1 P28482 2/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 1/20 0.61
HRH3 Q9Y5N1 3/20 0.47
HRH1 P35367 4/20 0.40
HTR6 P50406 3/20 0.39
ADRA2A P08913 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 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
Bromide SCHEMBL30145064 0.99 CYP1A1 (0.62) CYP1A1CYP1B1HDAC6MAPK1MEN1
SCHEMBL22749443 0.85 SMN1; SMN2 (0.64) CYP1A1CYP1B1HDAC6MAPK1MEN1
Bromide SCHEMBL4943678 0.84 CYP1A1 (0.64) CYP1A1CYP1B1HDAC6MAPK1MEN1
Bromide SCHEMBL22749619 0.83 SMN1; SMN2 (0.61) CYP1A1CYP1B1HDAC6MAPK1MEN1
SCHEMBL158627 0.76 KMT2A (1.00) CYP1A1CYP1B1HDAC6MAPK1MEN1
SCHEMBL29779505 0.76 MEN1 (0.39) CYP1A1CYP1B1HDAC6MAPK1MEN1
Bromide SCHEMBL28989071 0.75 CYP1A1 (0.60) CYP1A1CYP1B1HDAC6MAPK1MEN1
Bromide SCHEMBL3622970 0.75 CYP1A1 (1.00) CYP1A1CYP1B1HDAC6MAPK1MEN1
Bromide SCHEMBL22749605 0.74 KMT2A (0.95) CYP1A1CYP1B1HDAC6MAPK1MEN1
Bromide SCHEMBL31502661 0.74 CYP1A1 (0.98) CYP1A1CYP1B1HDAC6MAPK1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230030814-A1 Freeze-Dried Preparations Comprising Megakaryocytes and Platelets NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2023-02-02 US disclosed
EP-3246395-B1 COMPOUND FOR IDENTIFYING PLURIPOTENT CELLS UNIV KYOTO (JP) 2021-11-10 EP disclosed
EP-3246395-A1 COMPOUND FOR IDENTIFYING PLURIPOTENT CELLS Kyoto University (JP) 2017-11-22 EP disclosed