SCHEMBL21154458

SCHEMBL21154458

CC(C)(C)OC(=O)N1Cc2[nH]c3ccc(F)cc3c2C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 3/20 0.59
BRD3 Q15059 2/20 0.51
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CFTR P13569 1/20 0.48
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRA6 Q16445 1/20 0.46

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
SCHEMBL21153987 0.91 BAZ2B (0.47) BAZ2BBRD3ALDH1A1SMN1; SMN2MAPT
SCHEMBL21588367 0.90 BAZ2B (0.58) BAZ2BBRD3ALDH1A1SMN1; SMN2MAPT
SCHEMBL5104575 0.90 BAZ2B (0.71) BAZ2BBRD3ALDH1A1SMN1; SMN2MAPT
SCHEMBL10127727 0.88 BAZ2B (0.62) BAZ2BBRD3ALDH1A1SMN1; SMN2MAPT
SCHEMBL30228645 0.87 TRPV1 (0.57) BAZ2BSMN1; SMN2LMNAPABPC1ATM
SCHEMBL21154472 0.85 BAZ2B (0.61) BAZ2BALOX15TSHRHSD17B10CFTR
SCHEMBL30228476 0.85 BAZ2B (0.61) BAZ2BALOX15TSHRHSD17B10CFTR
SCHEMBL11670023 0.84 SMN1; SMN2 (0.63) BAZ2BALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL21154454 0.83 LMNA (0.55) BAZ2BMAPTMEN1KMT2ALMNA
SCHEMBL31117582 0.82 BAZ2B (0.60) BAZ2BALDH1A1SMN1; SMN2MAPTKDM4E

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