SCHEMBL11544239

SCHEMBL11544239

Cc1ccccc1Cc1ccccc1C(=O)NC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
LMNA P02545 3/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
ANO1 Q5XXA6 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL11545937 0.86 CAPN1 (0.52) HPGDLMNATSHRHTTALDH1A1
SCHEMBL11542230 0.85 ALDH1A1 (0.49) HPGDLMNATSHRANO1ALDH1A1
SCHEMBL13669850 0.82 MAPT (0.51) TSHRHTTALDH1A1MEN1KMT2A
SCHEMBL5230905 0.81 HPGD (0.56) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11543540 0.81 ALDH1A1 (0.48) LMNATSHRHTTANO1ALDH1A1
SCHEMBL28577924 0.80 LMNA (0.56) HPGDLMNATSHRHTTALDH1A1
SCHEMBL26200366 0.79 MAPT (0.49) HPGDTSHRHTTALDH1A1MEN1
SCHEMBL3065368 0.79 KMT2A (0.49) TSHRHTTALDH1A1MEN1KMT2A
SCHEMBL11542176 0.79 ALDH1A1 (0.46) HPGDHTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL11543797 0.77 SLC6A2 (0.54) TSHRHTTANO1ALDH1A1MEN1

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
US-4175191-A 4-Phenyl isoquinolines SANDOZ, INC. (US) 1979-11-20 US disclosed
US-3989704-A 3-Substituted-4-aryl isoquinolines SANDOZ, INC. (US) 1976-11-02 US disclosed