SCHEMBL9833663

SCHEMBL9833663

O=S(=O)(NC1CCCc2[nH]c3ccc(F)cc3c21)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RB1 P06400 2/20 0.51
MAPT P10636 8/20 0.45
TP53 P04637 7/20 0.45
LMNA P02545 6/20 0.45
THRB P10828 2/20 0.44
POLB P06746 1/20 0.41
BRD3 Q15059 1/20 0.41
IDO1 P14902 1/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
MAP2K4 P45985 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MAP2K7 O14733 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL9834014 0.77 RB1 (0.59) RB1MAPTTP53LMNATHRB
SCHEMBL5455553 0.71 RB1 (0.59) RB1MAPTTP53LMNATHRB
SCHEMBL917135 0.69 PSEN1 (0.53) SIGMAR1
SCHEMBL31730041 0.66 CRBN (0.50) LMNAMMP2MMP9CRHBPCRHR2
SCHEMBL9834530 0.65 RB1 (0.52) RB1MAPTTP53LMNATHRB
SCHEMBL9362217 0.64 RB1 (0.50) RB1MAPTTP53LMNATHRB
SCHEMBL23537405 0.64 PARP1 (0.45) BRD3
SCHEMBL29301626 0.64 PARP1 (0.45) BRD3
SCHEMBL5445854 0.63 RB1 (0.63) RB1MAPTTP53LMNATHRB
SCHEMBL5518996 0.62 MMP2 (0.51) THRBMMP2MMP9

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 6 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-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