SCHEMBL11808294

SCHEMBL11808294

Cc1cccc2[nH]c(S)nc12.[Zn]

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGAM O43451 15/20 0.51
GAA P10253 15/20 0.51
SI P14410 15/20 0.51
MGAM2 Q2M2H8 15/20 0.51
ESR1 P03372 1/20 0.49
CBFB Q13951 1/20 0.49
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45

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
SCHEMBL31547353 0.98 MGAM (0.53) MGAMGAASIMGAM2ESR1
SCHEMBL110724 0.98 MGAM (0.53) MGAMGAASIMGAM2ESR1
Calcium SCHEMBL11813214 0.96 MGAM (0.51) MGAMGAASIMGAM2ESR1
SCHEMBL11813479 0.96 MGAM (0.51) MGAMGAASIMGAM2ESR1
SCHEMBL353891 0.78 PARP1 (0.56) MGAMGAASIMGAM2ESR1
SCHEMBL1170892 0.78 MGAM (0.71) MGAMGAASIMGAM2ESR1
Bromide SCHEMBL5318091 0.76 PARP1 (0.55) MGAMGAASIMGAM2ESR1
SCHEMBL11739880 0.74 PSMB8 (0.56) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8682741 0.74 GAA (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9187595 0.74 MAPT (0.54) GAAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846816-B2 Process and apparatus for the preparation of crosslinkable rubber mixtures RHEIN CHEMIE RHEINAU GMBH (DE) 2014-09-30 US claimed
US-3979358-A MERCAPTOBENZO-1,3-DIAZOLE, PHENYLENEDIAMINE COMPOUND JAPAN SYNTHETIC RUBBER CO., LTD. (JA) 1976-09-07 US claimed
EP-4324880-A2 DUAL COMPOSITION BLOCK COPOLYMERS Dynasol Elastómeros, S.A.de C.V. (MX) 2024-02-21 EP disclosed
EP-3853274-B1 DUAL COMPOSITION BLOCK COPOLYMERS DYNASOL ELASTOMEROS SA DE CV (MX) 2023-11-01 EP disclosed
CN-116789602-A Method for preparing nitrogen-sulfur-containing benzo heterocyclic organic zinc salt by using heterocyclic compound 鹤壁中昊新材料科技有限公司 2023-09-22 CN disclosed
CN-112996826-B Two-component block copolymers 戴纳索尔伊莱斯托米罗斯公司 2023-04-14 CN disclosed
US-20210371642-A1 Dual Composition Block Copolymers DYNASOL ELASTÓMEROS, S.A. DE C.V. (MX) 2021-12-02 US disclosed
EP-3853274-A2 DUAL COMPOSITION BLOCK COPOLYMERS Dynasol Elastómeros, S.A.de C.V. (MX) 2021-07-28 EP disclosed
CN-112996826-A Two-component block copolymers 戴纳索尔伊莱斯托米罗斯公司 2021-06-18 CN disclosed
WO-2020128635-A2 DUAL COMPOSITION BLOCK COPOLYMERS DYNASOL ELASTOMEROS, S.A. DE C.V. (MX) 2020-06-25 WO disclosed
US-20200199334-A1 Dual Composition Block Copolymers DYNASOL ELASTÓMEROS, S.A. DE C.V. (MX) 2020-06-25 US disclosed
US-3979358-A MERCAPTOBENZO-1,3-DIAZOLE, PHENYLENEDIAMINE COMPOUND JAPAN SYNTHETIC RUBBER CO., LTD. (JA) 1976-09-07 US disclosed