SCHEMBL9431010

SCHEMBL9431010

CCCCCCCCCCCCCCCc1ccc(C(=O)Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.70
THRB P10828 9/20 0.70
RARB P10826 5/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 1/20 0.65
RARA P10276 1/20 0.65
MAPT P10636 1/20 0.65
MTOR P42345 1/20 0.65
PLA2G1B P04054 3/20 0.59
ATG4B Q9Y4P1 3/20 0.59
CYP1A2 P05177 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL2385561 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL269399 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL1021538 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL8960387 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL8728345 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL1021352 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL17272985 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL1020543 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL2180222 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL158152 0.98 THRA (0.67) THRATHRBRARBMEN1KMT2A

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-5318959-A A new miticides diaryl alkyl 1,2,4-triazoles KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-06-07 US disclosed