SCHEMBL11733993

SCHEMBL11733993

CCCCCCCCCCCCc1ccc(C(=O)CSc2ccc(N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 13/20 0.56
THRB P10828 13/20 0.56
HAO1 Q9UJM8 1/20 0.52
RARB P10826 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
RARA P10276 1/20 0.49
MAPT P10636 1/20 0.49
MTOR P42345 1/20 0.49

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
SCHEMBL11086601 0.80 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL11202747 0.80 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL14273067 0.79 ALDH1A1 (0.60) THRATHRBRARBMEN1KMT2A
SCHEMBL6653668 0.78 RARB (0.58) THRATHRBRARBMEN1KMT2A
SCHEMBL8180617 0.77 HTR2A (0.61) MEN1KMT2AALDH1A1MAPT
SCHEMBL23754735 0.76 HTR2A (0.76) MEN1KMT2AALDH1A1MAPT
SCHEMBL22346250 0.76 HTR2A (0.76) MEN1KMT2AALDH1A1MAPT
SCHEMBL22346501 0.76 HTR2A (0.76) MEN1KMT2AALDH1A1MAPT
SCHEMBL25171839 0.76 HTR2A (0.76) MEN1KMT2AALDH1A1MAPT
Pentadecane SCHEMBL22346204 0.76 HTR2A (0.76) MEN1KMT2AALDH1A1MAPT

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
US-4029503-A DIFFUSION TRANSFER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JA) 1977-06-14 US disclosed