SCHEMBL9687878

SCHEMBL9687878

CCn1cc(CC#N)c2cc(CS(=O)(=O)NC)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 3/20 0.38
▸ HTR1B P28222 3/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR1E P28566 1/20 0.38
▸ HTR1F P30939 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR5A P47898 1/20 0.38
▸ SLC47A1 Q96FL8 1/20 0.38
▸ NR3C1 P04150 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ AR P10275 1/20 0.36
▸ PFKFB2 O60825 3/20 0.35
▸ PFKFB1 P16118 3/20 0.35
▸ PFKFB3 Q16875 3/20 0.35
▸ KRAS P01116 1/20 0.35

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
SCHEMBL9765092 0.87 PLA2G4A (0.45) HTR6ICMTIMPDH2MEN1KMT2A
SCHEMBL9687324 0.81 HTR1A (0.57) HTR1DHTR1BHTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL9687692 0.80 HTR1A (0.56) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL10465857 0.73 CACNB4 (0.46) HTR6ICMT
SCHEMBL9765114 0.72 HTR1D (0.65) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL10465308 0.71 CACNB4 (0.42) HTR6ICMTMEN1KMT2ACYP19A1
SCHEMBL9765119 0.71 CA2 (0.39) HTR1DHTR2AMETHTR6IMPDH2
SCHEMBL13651695 0.70 HTR1A (0.56) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL10465880 0.70 PLA2G2A (0.47) HTR6
SCHEMBL9687900 0.70 HTR1A (0.55) HTR1DHTR1BHTR1AHTR2AHTR2C

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
WO-1992014708-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1992-09-03 — — WO disclosed
EP-0500086-A1 Indole derivatives, their use as medicines and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1992-08-26 — — EP disclosed
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