SCHEMBL9832863

SCHEMBL9832863

O=S(=O)(NCC1CCC(O)C1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
GBA1 P04062 1/20 0.53
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 2/20 0.52
TBXA2R P21731 4/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.50
NPY5R Q15761 1/20 0.49
MGLL Q99685 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL9832626 0.86 CNR2 (0.53) MEN1KMT2AGBA1ALDH1A1SMN1; SMN2
SCHEMBL9833355 0.85 GBA1 (0.73) MEN1KMT2AGBA1ALDH1A1PKM
SCHEMBL14606888 0.79 GBA1 (0.59) THRBMEN1KMT2AGBA1ALDH1A1
SCHEMBL14606884 0.79 GBA1 (0.59) THRBMEN1KMT2AGBA1ALDH1A1
SCHEMBL9833718 0.78 KMT2A (0.51) MEN1KMT2AGBA1ALDH1A1SMN1; SMN2
SCHEMBL13797000 0.77 THRB (0.57) THRBMEN1KMT2AGBA1ALDH1A1
SCHEMBL14837537 0.77 HTR2C (0.57) THRBMEN1KMT2AGBA1ALDH1A1
SCHEMBL9833885 0.77 GBA1 (0.55) THRBMEN1KMT2AGBA1ALDH1A1
SCHEMBL14842670 0.77 ALDH1A1 (0.58) THRBMEN1KMT2AGBA1ALDH1A1
SCHEMBL27900130 0.76 TBXA2R (0.53) THRBMEN1KMT2AGBA1ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1015711-B Cycloalkaho [1,2-b] indole-sulphonamides BAYER AG (DE) 1992-03-04 CN disclosed
EP-0242518-B1 Cycloalkano[1,2-b]indole-sulfonamides BAYER AG (DE) 1991-04-10 EP disclosed
US-4988820-A Inhibiting platelet aggregation, anticoagulants, thromboxane a2 antagonist BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
US-4965258-A Anticoagulant; thromboxane a2 antagonist BAYER AKTIENGESELLSCHAFT (DE) 1990-10-23 US disclosed
US-4904797-A REACTING A (BENZENESULFONAMIDOALKYL)CYCLOALKANO(1,2-B)INDOLE WITH ACRYLONITRILE; HYDROLYSIS, HYDROGENATION, REDUCTION BAYER AKTIENGESELLSCHAFT (DE) 1990-02-27 US disclosed
US-4827032-A INTERMEDIATES FOR ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 1989-05-02 US disclosed
EP-0242518-A1 Cycloalkano[1,2-b]indole-sulfonamides BAYER AG (DE) 1987-10-28 EP disclosed
CN-87100773-A Cycloalkanes is [1,2-b] indoles-sulfamide compound also 1987-09-02 CN disclosed