SCHEMBL27733691

SCHEMBL27733691

CCC(=O)OC(c1cc2cc(C(=O)c3ccccc3)ccc2[nH]1)S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.41
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ PDGFRB P09619 3/20 0.38
▸ PDGFRA P16234 3/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ CTNNB1 P35222 1/20 0.36

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
SCHEMBL27713316 0.91 HRH3 (0.37) MEN1KMT2ACYP1A2CYP2C9CYP3A4
SCHEMBL27733782 0.86 KDM4E (0.43) MEN1KMT2ATSHRPDGFRBPDGFRA
SCHEMBL28770872 0.86 PDGFRB (0.43) TSHRPDGFRBPDGFRAALDH1A1HPGD
SCHEMBL27713340 0.85 ATM (0.41) TSHRPDGFRBPDGFRAALDH1A1HPGD
SCHEMBL27713332 0.85 MEN1 (0.42) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL27713445 0.85 BCAT1 (0.45) CYP1A2CYP2C9PDGFRBPDGFRAALDH1A1
SCHEMBL27713329 0.82 AR (0.39) MEN1KMT2APDGFRBPDGFRARAB9A
SCHEMBL27733871 0.81 KDM4E (0.44) KMT2ACYP2C9PDGFRBPDGFRAMAPT
SCHEMBL27733651 0.79 MMP2 (0.38) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL27713298 0.78 GPR27 (0.34) KMT2APDGFRBPDGFRA

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
CN-101248044-B Indole compounds FOURNIER LAB SA 2012-05-30 — — CN disclosed
CN-101248044-A Novel indole compounds FOURNIER LAB SA (FR) 2008-08-20 — — CN disclosed
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