SCHEMBL15047148

SCHEMBL15047148

C[C@@H](Cc1ccccc1)c1nnc(-c2ccccc2)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TACR1 P25103 1/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
HPGD P15428 6/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
TSHR P16473 2/20 0.50
GPR55 Q9Y2T6 1/20 0.50
HTT P42858 3/20 0.48
LMNA P02545 3/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
EGFR P00533 1/20 0.46
POLB P06746 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 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
SCHEMBL13828053 1.00 GAA (0.54) GAAALDH1A1L3MBTL1TACR1SMN1; SMN2
Hydrochloric Acid SCHEMBL8520493 0.89 HPGD (0.56) GAAALDH1A1L3MBTL1TACR1SMN1; SMN2
SCHEMBL12527472 0.81 ALDH1A1 (0.56) GAAALDH1A1L3MBTL1TACR1SMN1; SMN2
SCHEMBL12525246 0.81 ALDH1A1 (0.56) GAAALDH1A1L3MBTL1TACR1SMN1; SMN2
SCHEMBL16252383 0.80 GAA (0.44) GAAALDH1A1L3MBTL1SMN1; SMN2HPGD
SCHEMBL823534 0.79 ALDH1A1 (0.65) GAAALDH1A1L3MBTL1SMN1; SMN2HPGD
SCHEMBL2394839 0.78 QPCT (0.51)
SCHEMBL21115031 0.77 ALDH1A1 (0.50) GAAALDH1A1L3MBTL1TACR1SMN1; SMN2
SCHEMBL12506940 0.77 CDC7 (0.62) MAPK1
SCHEMBL12506946 0.77 CDC7 (0.62) MAPK1

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-2013087716-A2 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-06-20 WO disclosed