SCHEMBL11818226

SCHEMBL11818226

CCN(CC)CC(=O)c1ccc2c(c1)Cc1cc(C(=O)CN(CC)CC)ccc1S2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ AGTR1 P30556 1/20 0.48
▸ PARP1 P09874 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HRH1 P35367 1/20 0.34

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
Hydrochloric Acid SCHEMBL11873000 0.97 MAPT (0.46) MAPTALDH1A1KDM4EAGTR1PARP1
SCHEMBL11732533 0.87 THRA (0.38) MAPTNPC1RAB9ACYP1A2TP53
SCHEMBL11819130 0.85 ALDH1A1 (0.41) MAPTALDH1A1KDM4EAGTR1PARP1
SCHEMBL11869377 0.85 KDM4E (0.45) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL11730448 0.85 L3MBTL1 (0.43) MAPTCYP1A2CHRM2HTR1ACHRM1
Hydrochloric Acid SCHEMBL11734361 0.85 MAOA (0.37) MAPTCYP1A2TP53CYP2D6TSHR
SCHEMBL11866455 0.83 L3MBTL1 (0.39) MAPTKDM4ECYP1A2CHRM2HTR1A
Hydrochloric Acid SCHEMBL11862770 0.83 L3MBTL1 (0.44) MAPTCYP1A2CHRM2HTR1ACHRM1
Hydrochloric Acid SCHEMBL11813656 0.83 MAPT (0.40) MAPTALDH1A1KDM4EAGTR1PARP1
SCHEMBL11680467 0.83 MAPT (0.54) MAPTALDH1A1KDM4EAGTR1PARP1

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 3 patents. 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 claimed
US-3957988-A Antiviral compositions containing bis-basic ketones of thioxanthene RICHARDSON-MERRELL INC. (US) 1976-05-18 — — US disclosed
US-3937835-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 — — US disclosed
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