SCHEMBL9834014

SCHEMBL9834014

O=S(=O)(NC1CCc2[nH]c3ccc(F)cc3c2C1)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RB1 P06400 1/20 0.59
MAPT P10636 6/20 0.48
LMNA P02545 5/20 0.48
TP53 P04637 5/20 0.48
THRB P10828 1/20 0.46
HDAC8 Q9BY41 2/20 0.46
NR1H2 P55055 3/20 0.45
NR1H3 Q13133 3/20 0.45
HTR1A P08908 2/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
POLB P06746 1/20 0.43
MAP2K7 O14733 1/20 0.43
MAP2K4 P45985 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR6 P50406 1/20 0.43
VPS4B O75351 1/20 0.42
VCP P55072 1/20 0.42
TBXA2R P21731 2/20 0.42

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
SCHEMBL9593099 0.83 RB1 (0.58) RB1MAPTLMNATP53THRB
SCHEMBL1427264 0.83 RB1 (0.83) RB1HTR6TBXA2R
SCHEMBL9834758 0.83 RB1 (0.83) RB1HTR6TBXA2R
SCHEMBL9362217 0.82 RB1 (0.50) RB1MAPTLMNATP53THRB
SCHEMBL9833663 0.77 RB1 (0.51) RB1MAPTLMNATP53THRB
Hydrochloric Acid SCHEMBL9592041 0.76 RB1 (0.52) RB1MAPTLMNATP53HTR1A
SCHEMBL7663571 0.75 MAPT (0.49) MAPTLMNATP53THRBPOLB
SCHEMBL9833845 0.75 RB1 (0.68) RB1TP53HTR1AHTR1DHTR1B
SCHEMBL2429520 0.74 HTR1A (0.54) RB1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL4899580 0.74 HTR1A (0.54) RB1HTR1AHTR1DHTR1BSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4827032-A INTERMEDIATES FOR ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 1989-05-02 US disclosed