SCHEMBL21153987

SCHEMBL21153987

CC(C)(C)OC(=O)N1Cc2[nH]c3cc(F)ccc3c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.47
BRD3 Q15059 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADRA1A P35348 1/20 0.40
CTSK P43235 1/20 0.40
BACE1 P56817 2/20 0.40
CDK9 P50750 2/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
TRPV1 Q8NER1 3/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 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
SCHEMBL21154458 0.91 BAZ2B (0.59) BAZ2BBRD3MEN1KMT2AKDM4E
SCHEMBL21588267 0.90 TRPV1 (0.51) BAZ2BBRD3TRPV1CDK4CCND1
SCHEMBL21114805 0.90 BAZ2B (0.58) BAZ2BBRD3MEN1KMT2AKDM4E
SCHEMBL29357445 0.90 BAZ2B (0.58) BAZ2BBRD3MEN1KMT2AKDM4E
SCHEMBL21154494 0.85 BAZ2B (0.50) BAZ2BKDM4EALDH1A1ADRA1ATRPV1
SCHEMBL21154454 0.83 LMNA (0.55) BAZ2BMEN1KMT2AMAPTTRPV1
SCHEMBL5104575 0.81 BAZ2B (0.71) BAZ2BBRD3MEN1KMT2AKDM4E
SCHEMBL21588367 0.81 BAZ2B (0.58) BAZ2BBRD3MEN1KMT2AKDM4E
SCHEMBL30228645 0.80 TRPV1 (0.57) BAZ2BSMN1; SMN2TRPV1
SCHEMBL10127727 0.79 BAZ2B (0.62) BAZ2BBRD3MEN1KMT2AKDM4E

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
EP-3735411-B1 1,3,4,5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER`S DISEASE AC IMMUNE SA (CH) 2024-07-10 EP disclosed
WO-2019134978-A1 1, 3, 4, 5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER'S DISEASE AC IMMUNE SA (CH) 2019-07-11 WO disclosed