SCHEMBL11868967

SCHEMBL11868967

CN1CCN(CCCCC(=O)c2ccc3c(c2)Cc2cc(C(=O)CCCCN4CCN(C)CC4)ccc2S3)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ RAD52 P43351 1/20 0.49
▸ PAOX Q6QHF9 1/20 0.46
▸ HRH2 P25021 2/20 0.45
▸ HRH1 P35367 2/20 0.45
▸ MCHR1 Q99705 2/20 0.45
▸ THRA P10827 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ HTR7 P34969 3/20 0.43
▸ DRD4 P21917 3/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ DRD3 P35462 1/20 0.43

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
SCHEMBL11865224 0.91 KDM4E (0.65) TSHRKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL11748966 0.90 KDM4E (0.67) KDM4EL3MBTL1ALDH1A1MCHR1
SCHEMBL11863515 0.88 KMT2A (0.58) KDM4EL3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL11870369 0.86 KDM4E (0.51) TSHRKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL11732688 0.86 KDM4E (0.61) TSHRKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL11750613 0.84 ACHE (0.51) KDM4EL3MBTL1HRH2HRH1MCHR1
Hydrochloric Acid SCHEMBL11871520 0.84 KDM4E (0.59) TSHRKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL11859502 0.84 ALDH1A1 (0.62) TSHRKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL11676917 0.81 KDM4E (0.65) TSHRKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL11750568 0.78 L3MBTL1 (0.40) KDM4EL3MBTL1LMNANPC1RAB9A

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-3957988-A Antiviral compositions containing bis-basic ketones of thioxanthene RICHARDSON-MERRELL INC. (US) 1976-05-18 — — US disclosed
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